REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xxz_1_B DATA FIRST_RESID 1175 DATA SEQUENCE REKLNPPTPS IYLESKRDAF SPVLLQFCTD PRNPITVIRG LAGSLRLNLG DATA SEQUENCE LFSTKTLVEA SGEHTVEVRT QVQQPSDENW DLTGTRQIWP CESSRSHTTI DATA SEQUENCE AKYAQYQASS FQESLQXXXX XXXXXXXXXX XXXXXXXXXX XXXXXHHIIK DATA SEQUENCE FGTNIDLSDA KRWKPQLQEL LKLPAFMRVT STXXXXXXXX XXILGMNTVQ DATA SEQUENCE LYMKVPGSRT PGHQENNNFC SVNINIGPGD CEWFAVHEHY WETISAFCDR DATA SEQUENCE HGVDYLTGSW WPILDDLYAS NIPVYRFVQR PGDLVWINAG TVHWVQATGW DATA SEQUENCE CNNIAWNVGP LTAYQYQLAL ERYEW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1175 R HA 0.000 nan 4.340 nan 0.000 0.208 1175 R C 0.000 176.237 176.300 -0.105 0.000 0.893 1175 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 1175 R CB 0.000 30.242 30.300 -0.097 0.000 0.687 1176 E N 2.045 122.205 120.200 -0.067 0.000 2.110 1176 E HA -0.199 4.152 4.350 0.001 0.000 0.193 1176 E C 1.571 178.138 176.600 -0.054 0.000 0.988 1176 E CA 1.675 58.043 56.400 -0.054 0.000 0.804 1176 E CB -0.412 29.268 29.700 -0.034 0.000 0.745 1176 E HN 0.400 nan 8.360 nan 0.000 0.458 1177 K N -0.464 119.908 120.400 -0.048 0.000 2.217 1177 K HA 0.071 4.391 4.320 0.001 0.000 0.202 1177 K C 2.005 178.569 176.600 -0.059 0.000 1.051 1177 K CA 0.823 57.085 56.287 -0.041 0.000 0.952 1177 K CB -0.177 32.311 32.500 -0.019 0.000 0.736 1177 K HN 0.409 nan 8.250 nan 0.000 0.453 1178 L N 1.509 122.689 121.223 -0.073 0.000 2.492 1178 L HA -0.016 4.325 4.340 0.001 0.000 0.223 1178 L C 0.233 177.066 176.870 -0.061 0.000 1.132 1178 L CA 0.058 54.864 54.840 -0.056 0.000 0.850 1178 L CB -0.190 41.809 42.059 -0.100 0.000 0.966 1178 L HN 0.232 nan 8.230 nan 0.000 0.454 1179 N N -0.246 118.394 118.700 -0.101 0.000 2.818 1179 N HA 0.235 4.975 4.740 0.001 0.000 0.301 1179 N C -2.726 172.721 175.510 -0.105 0.000 1.821 1179 N CA -1.599 51.402 53.050 -0.081 0.000 0.930 1179 N CB -0.197 38.252 38.487 -0.064 0.000 1.263 1179 N HN -0.022 nan 8.380 nan 0.000 0.487 1180 P HA 0.211 nan 4.420 nan 0.000 0.269 1180 P C -2.400 174.866 177.300 -0.056 0.000 1.215 1180 P CA -0.639 62.351 63.100 -0.183 0.000 0.780 1180 P CB 0.203 31.659 31.700 -0.406 0.000 0.898 1181 P HA 0.056 nan 4.420 nan 0.000 0.272 1181 P C -0.373 177.042 177.300 0.192 0.000 1.230 1181 P CA 0.129 63.286 63.100 0.095 0.000 0.788 1181 P CB 0.117 31.863 31.700 0.076 0.000 0.949 1182 T N 3.493 118.127 114.554 0.135 0.000 2.761 1182 T HA 0.269 4.619 4.350 0.001 0.000 0.296 1182 T C -2.151 172.531 174.700 -0.030 0.000 0.934 1182 T CA -0.985 61.138 62.100 0.037 0.000 1.091 1182 T CB -0.427 68.345 68.868 -0.160 0.000 0.896 1182 T HN 0.316 nan 8.240 nan 0.000 0.515 1183 P HA 0.257 nan 4.420 nan 0.000 0.264 1183 P C -0.795 176.495 177.300 -0.016 0.000 1.193 1183 P CA -0.040 63.102 63.100 0.070 0.000 0.763 1183 P CB 0.485 32.199 31.700 0.023 0.000 0.810 1184 S N 2.716 118.411 115.700 -0.009 0.000 2.556 1184 S HA 0.660 5.130 4.470 0.001 0.000 0.271 1184 S C -0.898 173.525 174.600 -0.295 0.000 1.135 1184 S CA -0.584 57.496 58.200 -0.199 0.000 0.858 1184 S CB 1.306 64.384 63.200 -0.203 0.000 1.114 1184 S HN 0.199 nan 8.310 nan 0.000 0.468 1185 I N 2.266 122.603 120.570 -0.388 0.000 2.499 1185 I HA 0.337 4.507 4.170 0.001 0.000 0.288 1185 I C -1.630 174.295 176.117 -0.320 0.000 1.048 1185 I CA -0.586 60.513 61.300 -0.335 0.000 1.062 1185 I CB 1.520 39.279 38.000 -0.401 0.000 1.238 1185 I HN 0.673 nan 8.210 nan 0.000 0.426 1186 Y N 5.759 125.968 120.300 -0.153 0.000 2.353 1186 Y HA 0.476 5.026 4.550 0.000 0.000 0.340 1186 Y C 0.340 176.190 175.900 -0.083 0.000 0.972 1186 Y CA -0.427 57.613 58.100 -0.100 0.000 1.157 1186 Y CB 1.200 39.612 38.460 -0.081 0.000 1.157 1186 Y HN 0.309 nan 8.280 nan 0.000 0.495 1187 L N 3.519 124.759 121.223 0.029 0.000 2.379 1187 L HA 0.412 4.752 4.340 0.001 0.000 0.269 1187 L C 0.683 177.580 176.870 0.044 0.000 1.084 1187 L CA -0.442 54.411 54.840 0.021 0.000 0.802 1187 L CB 1.224 43.282 42.059 -0.001 0.000 1.175 1187 L HN 0.603 nan 8.230 nan 0.000 0.448 1188 E N 0.414 120.637 120.200 0.038 0.000 2.606 1188 E HA 0.131 4.481 4.350 0.001 0.000 0.224 1188 E C -0.210 176.412 176.600 0.035 0.000 0.930 1188 E CA 0.183 56.604 56.400 0.036 0.000 1.125 1188 E CB 1.303 31.019 29.700 0.027 0.000 1.123 1188 E HN 0.656 nan 8.360 nan 0.000 0.522 1189 S N -0.903 114.823 115.700 0.043 0.000 2.615 1189 S HA 0.344 4.814 4.470 0.001 0.000 0.269 1189 S C 0.545 175.188 174.600 0.072 0.000 1.161 1189 S CA -0.714 57.515 58.200 0.048 0.000 0.817 1189 S CB 2.580 65.803 63.200 0.038 0.000 1.131 1189 S HN -0.081 nan 8.310 nan 0.000 0.467 1190 K N 0.482 120.926 120.400 0.074 0.000 2.032 1190 K HA -0.131 4.190 4.320 0.001 0.000 0.209 1190 K C 2.158 178.856 176.600 0.162 0.000 1.048 1190 K CA 1.652 58.008 56.287 0.114 0.000 0.927 1190 K CB -0.316 32.211 32.500 0.044 0.000 0.712 1190 K HN 0.545 nan 8.250 nan 0.000 0.441 1191 R N 1.313 121.863 120.500 0.083 0.000 2.152 1191 R HA -0.112 4.229 4.340 0.001 0.000 0.232 1191 R C 1.417 177.813 176.300 0.159 0.000 1.117 1191 R CA 1.922 58.083 56.100 0.103 0.000 0.981 1191 R CB -0.433 29.895 30.300 0.046 0.000 0.870 1191 R HN 0.354 nan 8.270 nan 0.000 0.451 1192 D N 0.031 120.500 120.400 0.115 0.000 2.123 1192 D HA -0.150 4.490 4.640 0.001 0.000 0.196 1192 D C 1.617 177.987 176.300 0.116 0.000 0.992 1192 D CA 1.774 55.827 54.000 0.089 0.000 0.833 1192 D CB -0.352 40.477 40.800 0.048 0.000 0.954 1192 D HN 0.383 nan 8.370 nan 0.000 0.455 1193 A N -0.090 122.824 122.820 0.157 0.000 1.969 1193 A HA -0.111 4.210 4.320 0.001 0.000 0.218 1193 A C 1.700 179.337 177.584 0.089 0.000 1.169 1193 A CA 0.782 52.877 52.037 0.097 0.000 0.635 1193 A CB -0.660 18.384 19.000 0.074 0.000 0.810 1193 A HN 0.143 nan 8.150 nan 0.000 0.445 1194 F N 0.161 120.166 119.950 0.091 0.000 2.765 1194 F HA 0.200 4.727 4.527 0.001 0.000 0.302 1194 F C 1.450 177.426 175.800 0.294 0.000 1.111 1194 F CA 0.177 58.294 58.000 0.194 0.000 1.359 1194 F CB -0.014 39.018 39.000 0.053 0.000 1.097 1194 F HN 0.073 nan 8.300 nan 0.000 0.577 1195 S N 1.629 117.508 115.700 0.298 0.000 2.533 1195 S HA 0.065 4.536 4.470 0.001 0.000 0.282 1195 S C -1.334 173.336 174.600 0.118 0.000 1.304 1195 S CA -1.245 57.062 58.200 0.178 0.000 1.063 1195 S CB 0.828 64.075 63.200 0.078 0.000 0.881 1195 S HN -0.089 nan 8.310 nan 0.000 0.493 1196 P HA -0.094 nan 4.420 nan 0.000 0.219 1196 P C 1.381 178.618 177.300 -0.105 0.000 1.146 1196 P CA 0.689 63.815 63.100 0.044 0.000 0.808 1196 P CB -0.043 31.700 31.700 0.072 0.000 0.779 1197 V N -0.571 119.306 119.914 -0.061 0.000 2.427 1197 V HA -0.200 3.920 4.120 0.001 0.000 0.248 1197 V C 2.368 178.390 176.094 -0.121 0.000 1.051 1197 V CA 1.313 63.569 62.300 -0.073 0.000 1.048 1197 V CB -1.215 30.584 31.823 -0.039 0.000 0.666 1197 V HN 0.068 nan 8.190 nan 0.000 0.456 1198 L N 0.102 121.231 121.223 -0.157 0.000 2.017 1198 L HA -0.127 4.213 4.340 0.001 0.000 0.208 1198 L C 2.226 178.837 176.870 -0.431 0.000 1.073 1198 L CA 1.936 56.656 54.840 -0.201 0.000 0.745 1198 L CB -0.789 41.218 42.059 -0.087 0.000 0.894 1198 L HN 0.324 nan 8.230 nan 0.000 0.432 1199 L N -0.378 120.342 121.223 -0.837 0.000 2.042 1199 L HA -0.255 4.086 4.340 0.001 0.000 0.210 1199 L C 2.530 179.023 176.870 -0.629 0.000 1.076 1199 L CA 2.249 56.351 54.840 -1.229 0.000 0.749 1199 L CB -1.020 40.106 42.059 -1.554 0.000 0.893 1199 L HN 0.583 nan 8.230 nan 0.000 0.432 1200 Q N -1.558 118.017 119.800 -0.375 0.000 2.084 1200 Q HA -0.272 4.068 4.340 0.001 0.000 0.202 1200 Q C 2.273 178.161 176.000 -0.187 0.000 0.978 1200 Q CA 2.157 57.829 55.803 -0.218 0.000 0.844 1200 Q CB -0.392 28.276 28.738 -0.116 0.000 0.898 1200 Q HN 0.560 nan 8.270 nan 0.000 0.426 1201 F N 0.262 120.036 119.950 -0.294 0.000 2.102 1201 F HA -0.258 4.269 4.527 0.000 0.000 0.298 1201 F C 2.211 177.809 175.800 -0.337 0.000 1.105 1201 F CA 1.450 59.296 58.000 -0.257 0.000 1.239 1201 F CB -0.440 38.423 39.000 -0.228 0.000 0.991 1201 F HN 0.202 nan 8.300 nan 0.000 0.474 1202 C N -0.065 119.010 119.300 -0.375 0.000 2.425 1202 C HA -0.160 4.301 4.460 0.001 0.000 0.277 1202 C C 2.684 177.318 174.990 -0.593 0.000 1.280 1202 C CA 1.784 60.340 59.018 -0.769 0.000 1.744 1202 C CB -1.604 25.157 27.740 -1.632 0.000 1.989 1202 C HN 0.689 nan 8.230 nan 0.000 0.491 1203 T N -2.361 111.942 114.554 -0.419 0.000 3.081 1203 T HA 0.001 4.352 4.350 0.001 0.000 0.250 1203 T C 0.292 174.906 174.700 -0.143 0.000 1.100 1203 T CA 0.142 62.148 62.100 -0.157 0.000 1.038 1203 T CB -0.341 68.469 68.868 -0.097 0.000 0.962 1203 T HN 0.410 nan 8.240 nan 0.000 0.516 1204 D N 3.507 123.767 120.400 -0.234 0.000 2.487 1204 D HA 0.055 4.696 4.640 0.001 0.000 0.243 1204 D C -1.228 174.982 176.300 -0.150 0.000 1.154 1204 D CA -1.868 52.013 54.000 -0.200 0.000 0.876 1204 D CB 1.651 42.264 40.800 -0.312 0.000 1.161 1204 D HN 0.086 nan 8.370 nan 0.000 0.478 1205 P HA -0.082 nan 4.420 nan 0.000 0.225 1205 P C 0.937 178.279 177.300 0.071 0.000 1.148 1205 P CA 0.686 63.786 63.100 -0.001 0.000 0.779 1205 P CB 0.247 31.979 31.700 0.053 0.000 0.780 1206 R N -0.599 119.903 120.500 0.004 0.000 2.285 1206 R HA 0.031 4.371 4.340 0.001 0.000 0.213 1206 R C 0.185 176.459 176.300 -0.042 0.000 1.068 1206 R CA 0.494 56.608 56.100 0.023 0.000 1.004 1206 R CB -0.395 29.882 30.300 -0.038 0.000 0.873 1206 R HN 0.221 nan 8.270 nan 0.000 0.467 1207 N N 0.925 119.512 118.700 -0.189 0.000 2.707 1207 N HA 0.133 4.873 4.740 0.001 0.000 0.235 1207 N C -2.207 173.154 175.510 -0.248 0.000 1.028 1207 N CA -1.696 51.175 53.050 -0.298 0.000 0.906 1207 N CB 1.616 39.767 38.487 -0.560 0.000 1.131 1207 N HN -0.128 nan 8.380 nan 0.000 0.509 1208 P HA -0.025 nan 4.420 nan 0.000 0.218 1208 P C 0.413 177.572 177.300 -0.235 0.000 1.149 1208 P CA 1.048 63.993 63.100 -0.258 0.000 0.817 1208 P CB 0.411 31.960 31.700 -0.252 0.000 0.785 1209 I N -5.587 114.780 120.570 -0.338 0.000 2.994 1209 I HA 0.522 4.692 4.170 0.001 0.000 0.306 1209 I C -1.602 174.330 176.117 -0.308 0.000 1.195 1209 I CA -0.768 60.364 61.300 -0.282 0.000 1.001 1209 I CB 2.149 39.948 38.000 -0.335 0.000 1.244 1209 I HN -0.411 nan 8.210 nan 0.000 0.437 1210 T N 3.933 118.358 114.554 -0.215 0.000 2.879 1210 T HA 0.530 4.880 4.350 0.001 0.000 0.290 1210 T C -0.592 173.940 174.700 -0.280 0.000 0.993 1210 T CA -0.372 61.625 62.100 -0.172 0.000 0.975 1210 T CB 2.040 70.900 68.868 -0.013 0.000 0.981 1210 T HN 0.470 nan 8.240 nan 0.000 0.439 1211 V N 4.909 124.587 119.914 -0.392 0.000 2.383 1211 V HA 0.438 4.559 4.120 0.001 0.000 0.275 1211 V C 0.046 175.937 176.094 -0.339 0.000 1.036 1211 V CA -0.688 61.363 62.300 -0.414 0.000 0.889 1211 V CB 0.824 32.345 31.823 -0.503 0.000 0.985 1211 V HN 0.783 nan 8.190 nan 0.000 0.459 1212 I N 6.408 126.814 120.570 -0.272 0.000 2.291 1212 I HA 0.404 4.574 4.170 0.001 0.000 0.290 1212 I C 0.373 176.335 176.117 -0.257 0.000 1.050 1212 I CA -0.380 60.772 61.300 -0.247 0.000 1.245 1212 I CB 0.446 38.352 38.000 -0.158 0.000 1.405 1212 I HN 0.470 nan 8.210 nan 0.000 0.478 1213 R N 4.691 124.975 120.500 -0.360 0.000 2.349 1213 R HA 0.426 4.766 4.340 0.001 0.000 0.299 1213 R C 0.899 177.107 176.300 -0.154 0.000 1.027 1213 R CA -0.168 55.741 56.100 -0.318 0.000 0.958 1213 R CB 1.231 31.166 30.300 -0.609 0.000 1.047 1213 R HN 0.941 nan 8.270 nan 0.000 0.468 1214 G N 1.798 110.554 108.800 -0.074 0.000 2.143 1214 G HA2 -0.246 3.715 3.960 0.001 0.000 0.249 1214 G HA3 -0.246 3.715 3.960 0.001 0.000 0.249 1214 G C 0.698 175.588 174.900 -0.016 0.000 0.981 1214 G CA 0.165 45.254 45.100 -0.017 0.000 0.665 1214 G HN 0.547 nan 8.290 nan 0.000 0.528 1215 L N 0.435 121.633 121.223 -0.042 0.000 1.970 1215 L HA 0.039 4.379 4.340 0.001 0.000 0.212 1215 L C 2.990 179.860 176.870 -0.000 0.000 1.071 1215 L CA 3.312 58.133 54.840 -0.032 0.000 0.751 1215 L CB -1.356 40.666 42.059 -0.062 0.000 0.889 1215 L HN 0.627 nan 8.230 nan 0.000 0.432 1216 A N -0.154 122.670 122.820 0.005 0.000 1.917 1216 A HA -0.182 4.138 4.320 0.001 0.000 0.219 1216 A C 2.338 179.947 177.584 0.042 0.000 1.182 1216 A CA 1.875 53.931 52.037 0.032 0.000 0.633 1216 A CB -1.393 17.629 19.000 0.037 0.000 0.819 1216 A HN 0.576 nan 8.150 nan 0.000 0.448 1217 G N -0.248 108.573 108.800 0.034 0.000 2.408 1217 G HA2 -0.167 3.793 3.960 0.001 0.000 0.217 1217 G HA3 -0.167 3.793 3.960 0.001 0.000 0.217 1217 G C 1.923 176.850 174.900 0.045 0.000 1.150 1217 G CA 1.692 46.816 45.100 0.040 0.000 0.776 1217 G HN 0.874 nan 8.290 nan 0.000 0.542 1218 S N 0.313 116.039 115.700 0.044 0.000 2.423 1218 S HA 0.085 4.555 4.470 0.001 0.000 0.231 1218 S C 2.006 176.653 174.600 0.078 0.000 1.014 1218 S CA 0.782 59.016 58.200 0.056 0.000 0.965 1218 S CB -0.200 63.033 63.200 0.055 0.000 0.785 1218 S HN 0.274 nan 8.310 nan 0.000 0.495 1219 L N -0.017 121.255 121.223 0.082 0.000 2.640 1219 L HA 0.411 4.751 4.340 0.001 0.000 0.230 1219 L C 0.626 177.549 176.870 0.089 0.000 1.123 1219 L CA -0.342 54.562 54.840 0.108 0.000 0.900 1219 L CB -0.249 41.880 42.059 0.117 0.000 1.146 1219 L HN 0.139 nan 8.230 nan 0.000 0.484 1220 R N 1.045 121.588 120.500 0.072 0.000 3.336 1220 R HA -0.144 4.197 4.340 0.001 0.000 0.260 1220 R C -0.368 175.976 176.300 0.075 0.000 1.032 1220 R CA 0.205 56.345 56.100 0.066 0.000 0.693 1220 R CB -1.930 28.405 30.300 0.059 0.000 1.134 1220 R HN 0.321 nan 8.270 nan 0.000 0.433 1221 L N 0.692 121.964 121.223 0.081 0.000 2.453 1221 L HA 0.067 4.408 4.340 0.001 0.000 0.272 1221 L C 1.170 178.103 176.870 0.105 0.000 1.182 1221 L CA -0.121 54.779 54.840 0.101 0.000 0.858 1221 L CB 0.331 42.453 42.059 0.105 0.000 1.120 1221 L HN 0.097 nan 8.230 nan 0.000 0.474 1222 N N 3.562 122.332 118.700 0.118 0.000 2.868 1222 N HA 0.144 4.885 4.740 0.001 0.000 0.252 1222 N C 0.719 176.332 175.510 0.172 0.000 1.130 1222 N CA -0.029 53.086 53.050 0.109 0.000 1.026 1222 N CB 0.413 38.943 38.487 0.072 0.000 1.335 1222 N HN 0.581 nan 8.380 nan 0.000 0.516 1223 L N 0.978 122.312 121.223 0.185 0.000 2.362 1223 L HA 0.027 4.367 4.340 0.001 0.000 0.219 1223 L C 2.145 179.171 176.870 0.259 0.000 1.134 1223 L CA 0.784 55.789 54.840 0.275 0.000 0.807 1223 L CB -0.331 41.831 42.059 0.172 0.000 0.927 1223 L HN 0.515 nan 8.230 nan 0.000 0.447 1224 G N 0.383 109.269 108.800 0.144 0.000 2.479 1224 G HA2 -0.226 3.734 3.960 0.001 0.000 0.220 1224 G HA3 -0.226 3.734 3.960 0.001 0.000 0.220 1224 G C 1.599 176.529 174.900 0.050 0.000 1.115 1224 G CA 0.337 45.493 45.100 0.095 0.000 0.757 1224 G HN 0.296 nan 8.290 nan 0.000 0.560 1225 L N -0.966 120.253 121.223 -0.006 0.000 2.265 1225 L HA 0.049 4.389 4.340 0.001 0.000 0.215 1225 L C 1.635 178.252 176.870 -0.422 0.000 1.117 1225 L CA 0.588 55.288 54.840 -0.233 0.000 0.782 1225 L CB -0.154 41.674 42.059 -0.384 0.000 0.914 1225 L HN 0.210 nan 8.230 nan 0.000 0.441 1226 F N -1.213 118.765 119.950 0.047 0.000 2.639 1226 F HA 0.115 4.642 4.527 0.001 0.000 0.302 1226 F C 1.574 177.402 175.800 0.047 0.000 1.097 1226 F CA -0.582 57.438 58.000 0.033 0.000 1.294 1226 F CB -0.192 38.824 39.000 0.027 0.000 1.027 1226 F HN -0.071 nan 8.300 nan 0.000 0.550 1227 S N -1.020 114.779 115.700 0.164 0.000 2.579 1227 S HA 0.044 4.515 4.470 0.001 0.000 0.275 1227 S C 1.405 176.076 174.600 0.118 0.000 1.345 1227 S CA -0.172 58.105 58.200 0.129 0.000 1.031 1227 S CB 1.222 64.475 63.200 0.088 0.000 0.892 1227 S HN 0.187 nan 8.310 nan 0.000 0.529 1228 T N 2.058 116.686 114.554 0.123 0.000 2.720 1228 T HA -0.146 4.205 4.350 0.001 0.000 0.268 1228 T C 1.760 176.527 174.700 0.111 0.000 1.037 1228 T CA 1.916 64.097 62.100 0.136 0.000 1.144 1228 T CB -0.508 68.452 68.868 0.152 0.000 0.864 1228 T HN 0.826 nan 8.240 nan 0.000 0.444 1229 K N 1.046 121.495 120.400 0.082 0.000 2.020 1229 K HA -0.153 4.167 4.320 0.001 0.000 0.212 1229 K C 2.243 178.881 176.600 0.064 0.000 1.050 1229 K CA 2.099 58.424 56.287 0.063 0.000 0.929 1229 K CB -0.847 31.679 32.500 0.043 0.000 0.714 1229 K HN 0.231 nan 8.250 nan 0.000 0.443 1230 T N 1.256 115.845 114.554 0.059 0.000 2.746 1230 T HA -0.061 4.289 4.350 0.001 0.000 0.267 1230 T C 1.741 176.492 174.700 0.084 0.000 1.039 1230 T CA 1.543 63.672 62.100 0.048 0.000 1.142 1230 T CB -0.212 68.666 68.868 0.017 0.000 0.866 1230 T HN 0.142 nan 8.240 nan 0.000 0.444 1231 L N 0.676 121.975 121.223 0.125 0.000 2.046 1231 L HA -0.087 4.253 4.340 0.001 0.000 0.208 1231 L C 2.669 179.664 176.870 0.209 0.000 1.077 1231 L CA 0.866 55.841 54.840 0.225 0.000 0.747 1231 L CB -0.774 41.402 42.059 0.195 0.000 0.896 1231 L HN 0.140 nan 8.230 nan 0.000 0.432 1232 V N -0.006 119.998 119.914 0.150 0.000 2.295 1232 V HA -0.279 3.841 4.120 0.001 0.000 0.246 1232 V C 2.372 178.514 176.094 0.079 0.000 1.049 1232 V CA 1.891 64.266 62.300 0.124 0.000 1.024 1232 V CB -0.479 31.408 31.823 0.107 0.000 0.648 1232 V HN 0.466 nan 8.190 nan 0.000 0.447 1233 E N 0.142 120.377 120.200 0.058 0.000 2.153 1233 E HA -0.187 4.163 4.350 0.001 0.000 0.194 1233 E C 2.267 178.866 176.600 -0.002 0.000 0.988 1233 E CA 1.278 57.694 56.400 0.025 0.000 0.811 1233 E CB -0.307 29.404 29.700 0.018 0.000 0.746 1233 E HN 0.627 nan 8.360 nan 0.000 0.466 1234 A N 0.363 123.185 122.820 0.002 0.000 1.872 1234 A HA -0.009 4.311 4.320 0.001 0.000 0.214 1234 A C 1.646 179.124 177.584 -0.177 0.000 1.187 1234 A CA 1.023 53.009 52.037 -0.084 0.000 0.614 1234 A CB 0.287 19.261 19.000 -0.043 0.000 0.826 1234 A HN 0.099 nan 8.150 nan 0.000 0.442 1235 S N -1.953 113.685 115.700 -0.103 0.000 2.680 1235 S HA 0.416 4.886 4.470 0.001 0.000 0.140 1235 S C 0.900 175.548 174.600 0.079 0.000 1.357 1235 S CA 0.174 58.311 58.200 -0.104 0.000 1.201 1235 S CB -0.080 62.895 63.200 -0.375 0.000 1.547 1235 S HN 0.707 nan 8.310 nan 0.000 0.411 1236 G N 1.557 110.399 108.800 0.070 0.000 2.507 1236 G HA2 -0.184 3.776 3.960 0.001 0.000 0.221 1236 G HA3 -0.184 3.776 3.960 0.001 0.000 0.221 1236 G C 0.868 175.841 174.900 0.122 0.000 1.119 1236 G CA 1.043 46.204 45.100 0.103 0.000 0.751 1236 G HN 0.597 nan 8.290 nan 0.000 0.574 1237 E N -0.753 119.509 120.200 0.104 0.000 2.463 1237 E HA 0.195 4.545 4.350 0.001 0.000 0.193 1237 E C 0.417 177.093 176.600 0.127 0.000 1.041 1237 E CA -0.417 56.041 56.400 0.095 0.000 0.879 1237 E CB 0.056 29.788 29.700 0.053 0.000 0.997 1237 E HN 0.628 nan 8.360 nan 0.000 0.478 1238 H N 0.001 119.127 119.070 0.093 0.000 2.790 1238 H HA 0.106 4.662 4.556 0.000 0.000 0.358 1238 H C -0.052 175.352 175.328 0.126 0.000 1.103 1238 H CA 0.443 56.571 56.048 0.134 0.000 1.426 1238 H CB 0.616 30.542 29.762 0.272 0.000 1.424 1238 H HN -0.134 nan 8.280 nan 0.000 0.599 1239 T N 4.264 118.605 114.554 -0.356 0.000 2.907 1239 T HA 0.334 4.684 4.350 0.001 0.000 0.298 1239 T C -0.665 174.008 174.700 -0.045 0.000 1.017 1239 T CA -0.375 61.633 62.100 -0.152 0.000 1.118 1239 T CB 0.369 69.137 68.868 -0.167 0.000 0.948 1239 T HN 0.321 nan 8.240 nan 0.000 0.531 1240 V N 3.521 123.440 119.914 0.009 0.000 2.482 1240 V HA 0.281 4.401 4.120 0.001 0.000 0.295 1240 V C 0.065 176.084 176.094 -0.126 0.000 1.026 1240 V CA -0.935 61.336 62.300 -0.048 0.000 0.856 1240 V CB 1.768 33.567 31.823 -0.040 0.000 1.001 1240 V HN 0.892 nan 8.190 nan 0.000 0.424 1241 E N 4.190 124.258 120.200 -0.220 0.000 2.265 1241 E HA 0.354 4.705 4.350 0.001 0.000 0.272 1241 E C -1.072 175.298 176.600 -0.384 0.000 1.067 1241 E CA -0.215 55.926 56.400 -0.431 0.000 0.900 1241 E CB 1.210 30.700 29.700 -0.350 0.000 1.017 1241 E HN 0.475 nan 8.360 nan 0.000 0.431 1242 V N 6.205 125.899 119.914 -0.367 0.000 2.427 1242 V HA 0.351 4.472 4.120 0.001 0.000 0.286 1242 V C 0.241 176.201 176.094 -0.222 0.000 1.034 1242 V CA -0.679 61.473 62.300 -0.247 0.000 0.893 1242 V CB 1.479 33.227 31.823 -0.125 0.000 0.982 1242 V HN 0.651 nan 8.190 nan 0.000 0.452 1243 R N 2.539 122.931 120.500 -0.180 0.000 2.338 1243 R HA 0.522 4.863 4.340 0.001 0.000 0.317 1243 R C -0.515 175.778 176.300 -0.012 0.000 0.968 1243 R CA -0.395 55.640 56.100 -0.108 0.000 0.849 1243 R CB 1.872 32.097 30.300 -0.125 0.000 1.128 1243 R HN 0.639 nan 8.270 nan 0.000 0.448 1244 T N 3.818 118.359 114.554 -0.021 0.000 2.795 1244 T HA 0.398 4.749 4.350 0.001 0.000 0.282 1244 T C -0.230 174.472 174.700 0.003 0.000 0.980 1244 T CA -0.518 61.582 62.100 -0.000 0.000 1.012 1244 T CB 1.445 70.304 68.868 -0.014 0.000 0.936 1244 T HN 0.365 nan 8.240 nan 0.000 0.457 1245 Q N 1.073 120.880 119.800 0.012 0.000 2.379 1245 Q HA 0.545 4.885 4.340 0.001 0.000 0.278 1245 Q C -1.111 174.882 176.000 -0.012 0.000 1.068 1245 Q CA -0.929 54.866 55.803 -0.013 0.000 0.816 1245 Q CB 2.899 31.620 28.738 -0.028 0.000 1.387 1245 Q HN 0.474 nan 8.270 nan 0.000 0.413 1246 V N 1.891 121.788 119.914 -0.029 0.000 2.572 1246 V HA 0.033 4.153 4.120 0.001 0.000 0.291 1246 V C -0.224 175.846 176.094 -0.040 0.000 1.039 1246 V CA 0.289 62.578 62.300 -0.019 0.000 1.055 1246 V CB 1.367 33.178 31.823 -0.020 0.000 0.969 1246 V HN 0.756 nan 8.190 nan 0.000 0.482 1247 Q N 5.669 125.467 119.800 -0.003 0.000 2.332 1247 Q HA 0.394 4.735 4.340 0.001 0.000 0.263 1247 Q C -0.395 175.590 176.000 -0.025 0.000 0.979 1247 Q CA -0.064 55.725 55.803 -0.023 0.000 0.885 1247 Q CB 0.616 29.369 28.738 0.024 0.000 1.218 1247 Q HN 0.894 nan 8.270 nan 0.000 0.405 1248 Q N 2.032 121.792 119.800 -0.067 0.000 2.630 1248 Q HA 0.551 4.891 4.340 0.001 0.000 0.295 1248 Q C -2.850 173.134 176.000 -0.028 0.000 0.944 1248 Q CA -2.351 53.442 55.803 -0.017 0.000 0.766 1248 Q CB 1.102 29.862 28.738 0.036 0.000 1.471 1248 Q HN 0.386 nan 8.270 nan 0.000 0.416 1249 P HA -0.022 nan 4.420 nan 0.000 0.268 1249 P C 0.729 178.070 177.300 0.069 0.000 1.204 1249 P CA 0.261 63.402 63.100 0.068 0.000 0.768 1249 P CB 0.769 32.544 31.700 0.126 0.000 0.842 1250 S N 0.730 116.498 115.700 0.113 0.000 2.465 1250 S HA -0.179 4.291 4.470 0.001 0.000 0.241 1250 S C 1.096 175.901 174.600 0.342 0.000 1.000 1250 S CA 1.224 59.565 58.200 0.235 0.000 0.964 1250 S CB -0.576 62.838 63.200 0.358 0.000 0.763 1250 S HN 0.392 nan 8.310 nan 0.000 0.512 1251 D N 1.562 122.107 120.400 0.242 0.000 2.388 1251 D HA 0.308 4.948 4.640 0.001 0.000 0.221 1251 D C -0.227 176.123 176.300 0.084 0.000 1.133 1251 D CA 0.104 54.217 54.000 0.188 0.000 0.831 1251 D CB 0.322 41.242 40.800 0.199 0.000 0.962 1251 D HN 0.658 nan 8.370 nan 0.000 0.502 1252 E N -0.082 120.151 120.200 0.056 0.000 2.383 1252 E HA 0.391 4.741 4.350 0.001 0.000 0.275 1252 E C -1.018 175.432 176.600 -0.249 0.000 0.918 1252 E CA -0.895 55.422 56.400 -0.138 0.000 0.764 1252 E CB 1.884 31.639 29.700 0.091 0.000 1.252 1252 E HN -0.199 nan 8.360 nan 0.000 0.449 1253 N N 1.847 120.286 118.700 -0.435 0.000 2.594 1253 N HA 0.263 5.003 4.740 0.001 0.000 0.280 1253 N C -2.115 173.163 175.510 -0.386 0.000 1.156 1253 N CA -0.420 52.423 53.050 -0.344 0.000 0.831 1253 N CB 0.660 38.991 38.487 -0.260 0.000 1.379 1253 N HN 0.357 nan 8.380 nan 0.000 0.536 1254 W N 1.904 123.150 121.300 -0.090 0.000 2.448 1254 W HA 0.307 4.967 4.660 0.000 0.000 0.339 1254 W C 0.594 177.083 176.519 -0.050 0.000 1.124 1254 W CA -0.481 56.829 57.345 -0.058 0.000 1.262 1254 W CB 0.627 30.058 29.460 -0.049 0.000 1.251 1254 W HN 0.423 nan 8.180 nan 0.000 0.597 1255 D N 0.941 121.483 120.400 0.236 0.000 2.384 1255 D HA -0.013 4.627 4.640 0.001 0.000 0.244 1255 D C 1.159 177.534 176.300 0.126 0.000 1.251 1255 D CA -0.358 53.724 54.000 0.135 0.000 0.961 1255 D CB 0.265 41.130 40.800 0.109 0.000 1.116 1255 D HN 0.366 nan 8.370 nan 0.000 0.484 1256 L N -1.790 119.476 121.223 0.071 0.000 2.191 1256 L HA -0.046 4.294 4.340 0.001 0.000 0.212 1256 L C 1.983 178.867 176.870 0.025 0.000 1.103 1256 L CA 2.244 57.108 54.840 0.040 0.000 0.769 1256 L CB -2.079 39.995 42.059 0.025 0.000 0.908 1256 L HN 0.609 nan 8.230 nan 0.000 0.438 1257 T N -3.634 110.943 114.554 0.038 0.000 3.055 1257 T HA 0.278 4.629 4.350 0.001 0.000 0.265 1257 T C 1.585 176.278 174.700 -0.012 0.000 1.111 1257 T CA 0.412 62.521 62.100 0.016 0.000 1.118 1257 T CB -0.733 68.154 68.868 0.031 0.000 0.909 1257 T HN 0.863 nan 8.240 nan 0.000 0.501 1258 G N 1.350 110.159 108.800 0.014 0.000 2.198 1258 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 1258 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 1258 G C 0.653 175.456 174.900 -0.162 0.000 1.025 1258 G CA 0.926 45.951 45.100 -0.125 0.000 0.769 1258 G HN 1.164 nan 8.290 nan 0.000 0.507 1259 T N -5.429 109.195 114.554 0.117 0.000 3.043 1259 T HA 0.679 5.029 4.350 0.001 0.000 0.272 1259 T C 0.696 175.623 174.700 0.379 0.000 0.990 1259 T CA 1.372 63.576 62.100 0.173 0.000 0.897 1259 T CB 0.522 69.441 68.868 0.085 0.000 1.111 1259 T HN 1.689 nan 8.240 nan 0.000 0.529 1260 R N 1.015 121.806 120.500 0.486 0.000 2.566 1260 R HA 0.675 5.015 4.340 0.001 0.000 0.271 1260 R C -1.176 175.166 176.300 0.069 0.000 1.071 1260 R CA -0.859 55.392 56.100 0.252 0.000 0.915 1260 R CB 0.478 30.858 30.300 0.133 0.000 1.228 1260 R HN 0.331 nan 8.270 nan 0.000 0.449 1261 Q N 1.642 121.277 119.800 -0.275 0.000 2.327 1261 Q HA 0.568 4.909 4.340 0.001 0.000 0.254 1261 Q C 0.256 176.109 176.000 -0.245 0.000 0.952 1261 Q CA -0.114 55.393 55.803 -0.495 0.000 0.884 1261 Q CB 1.093 29.475 28.738 -0.594 0.000 1.224 1261 Q HN 0.757 nan 8.270 nan 0.000 0.422 1262 I N -3.271 117.158 120.570 -0.236 0.000 3.145 1262 I HA 0.415 4.585 4.170 0.001 0.000 0.313 1262 I C -0.200 175.819 176.117 -0.164 0.000 1.122 1262 I CA -1.032 60.173 61.300 -0.159 0.000 0.987 1262 I CB 1.412 39.365 38.000 -0.078 0.000 1.236 1262 I HN 0.449 nan 8.210 nan 0.000 0.453 1263 W N 0.613 121.722 121.300 -0.318 0.000 2.526 1263 W HA 0.255 4.915 4.660 0.000 0.000 0.294 1263 W C -1.714 174.813 176.519 0.013 0.000 1.181 1263 W CA 0.712 57.958 57.345 -0.166 0.000 1.373 1263 W CB -1.213 28.132 29.460 -0.191 0.000 1.112 1263 W HN 0.243 nan 8.180 nan 0.000 0.545 1264 P HA -0.039 nan 4.420 nan 0.000 0.265 1264 P C -0.528 176.837 177.300 0.108 0.000 1.193 1264 P CA 0.358 63.573 63.100 0.191 0.000 0.765 1264 P CB 0.649 32.431 31.700 0.137 0.000 0.823 1265 C N 4.469 123.832 119.300 0.105 0.000 2.316 1265 C HA 0.358 4.818 4.460 0.001 0.000 0.324 1265 C C 0.228 175.220 174.990 0.003 0.000 1.226 1265 C CA -0.512 58.520 59.018 0.024 0.000 1.450 1265 C CB -1.058 26.704 27.740 0.037 0.000 2.123 1265 C HN 0.644 nan 8.230 nan 0.000 0.454 1266 E N 3.861 124.050 120.200 -0.018 0.000 2.313 1266 E HA 0.546 4.896 4.350 0.001 0.000 0.276 1266 E C -0.210 176.375 176.600 -0.025 0.000 1.031 1266 E CA 0.114 56.507 56.400 -0.010 0.000 0.857 1266 E CB 0.802 30.497 29.700 -0.008 0.000 1.040 1266 E HN 0.865 nan 8.360 nan 0.000 0.408 1267 S N 2.666 118.355 115.700 -0.018 0.000 2.536 1267 S HA 0.435 4.905 4.470 0.001 0.000 0.271 1267 S C -0.967 173.619 174.600 -0.022 0.000 1.134 1267 S CA -0.914 57.272 58.200 -0.024 0.000 0.897 1267 S CB 1.775 64.954 63.200 -0.035 0.000 1.094 1267 S HN 0.371 nan 8.310 nan 0.000 0.473 1268 S N 1.746 117.431 115.700 -0.025 0.000 2.509 1268 S HA 0.618 5.088 4.470 0.001 0.000 0.297 1268 S C -0.476 174.095 174.600 -0.048 0.000 1.118 1268 S CA -0.793 57.392 58.200 -0.025 0.000 1.074 1268 S CB 0.726 63.917 63.200 -0.015 0.000 1.038 1268 S HN 0.776 nan 8.310 nan 0.000 0.498 1269 R N 2.006 122.479 120.500 -0.046 0.000 2.368 1269 R HA 0.611 4.951 4.340 0.001 0.000 0.302 1269 R C -0.559 175.705 176.300 -0.060 0.000 1.002 1269 R CA -0.373 55.677 56.100 -0.083 0.000 0.929 1269 R CB 1.715 31.984 30.300 -0.053 0.000 1.073 1269 R HN 0.624 nan 8.270 nan 0.000 0.464 1270 S N 1.279 116.893 115.700 -0.144 0.000 2.618 1270 S HA 0.534 5.004 4.470 0.001 0.000 0.277 1270 S C -1.657 172.801 174.600 -0.236 0.000 1.138 1270 S CA -0.855 57.308 58.200 -0.061 0.000 0.844 1270 S CB 1.045 64.217 63.200 -0.047 0.000 1.127 1270 S HN 0.658 nan 8.310 nan 0.000 0.474 1271 H N 0.033 119.087 119.070 -0.027 0.000 2.821 1271 H HA 0.841 5.397 4.556 0.001 0.000 0.373 1271 H C 0.122 175.446 175.328 -0.006 0.000 1.165 1271 H CA -0.274 55.758 56.048 -0.028 0.000 1.154 1271 H CB 1.997 31.738 29.762 -0.035 0.000 1.765 1271 H HN 0.708 nan 8.280 nan 0.000 0.549 1272 T N -0.556 114.066 114.554 0.113 0.000 2.647 1272 T HA 0.463 4.813 4.350 0.001 0.000 0.302 1272 T C -0.959 173.799 174.700 0.096 0.000 1.389 1272 T CA -0.074 62.084 62.100 0.096 0.000 1.037 1272 T CB 0.540 69.465 68.868 0.094 0.000 1.755 1272 T HN 0.788 nan 8.240 nan 0.000 0.467 1273 T N -0.084 114.538 114.554 0.113 0.000 2.949 1273 T HA 0.581 4.931 4.350 0.001 0.000 0.287 1273 T C 1.545 176.352 174.700 0.180 0.000 1.034 1273 T CA -0.906 61.270 62.100 0.128 0.000 1.018 1273 T CB 0.724 69.658 68.868 0.111 0.000 1.135 1273 T HN 0.428 nan 8.240 nan 0.000 0.532 1274 I N 0.708 121.399 120.570 0.202 0.000 2.252 1274 I HA -0.048 4.122 4.170 0.001 0.000 0.245 1274 I C 3.018 179.270 176.117 0.224 0.000 1.102 1274 I CA 1.644 63.086 61.300 0.237 0.000 1.385 1274 I CB -1.965 36.192 38.000 0.261 0.000 1.064 1274 I HN 0.877 nan 8.210 nan 0.000 0.414 1275 A N 0.841 123.765 122.820 0.174 0.000 1.902 1275 A HA -0.219 4.101 4.320 0.001 0.000 0.217 1275 A C 2.284 179.951 177.584 0.139 0.000 1.181 1275 A CA 1.692 53.812 52.037 0.139 0.000 0.623 1275 A CB -0.381 18.682 19.000 0.104 0.000 0.818 1275 A HN 0.188 nan 8.150 nan 0.000 0.443 1276 K N -1.453 119.034 120.400 0.146 0.000 2.062 1276 K HA -0.030 4.291 4.320 0.001 0.000 0.205 1276 K C 1.746 178.445 176.600 0.164 0.000 1.051 1276 K CA 1.313 57.681 56.287 0.134 0.000 0.941 1276 K CB -0.725 31.846 32.500 0.118 0.000 0.719 1276 K HN 0.605 nan 8.250 nan 0.000 0.440 1277 Y N 0.741 121.115 120.300 0.125 0.000 2.224 1277 Y HA -0.177 4.373 4.550 0.000 0.000 0.289 1277 Y C 1.905 177.941 175.900 0.226 0.000 1.146 1277 Y CA 1.508 59.706 58.100 0.163 0.000 1.182 1277 Y CB -0.344 38.192 38.460 0.127 0.000 0.983 1277 Y HN 0.063 nan 8.280 nan 0.000 0.524 1278 A N 0.203 123.169 122.820 0.243 0.000 1.883 1278 A HA -0.289 4.032 4.320 0.001 0.000 0.217 1278 A C 2.140 179.769 177.584 0.076 0.000 1.186 1278 A CA 2.059 54.200 52.037 0.173 0.000 0.624 1278 A CB -0.853 18.247 19.000 0.168 0.000 0.822 1278 A HN 0.643 nan 8.150 nan 0.000 0.444 1279 Q N -1.991 117.853 119.800 0.073 0.000 2.045 1279 Q HA -0.261 4.080 4.340 0.001 0.000 0.206 1279 Q C 2.067 178.082 176.000 0.024 0.000 0.991 1279 Q CA 2.181 58.014 55.803 0.049 0.000 0.851 1279 Q CB -0.412 28.365 28.738 0.064 0.000 0.911 1279 Q HN 0.874 nan 8.270 nan 0.000 0.418 1280 Y N 1.184 121.409 120.300 -0.125 0.000 2.145 1280 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 1280 Y C 2.470 178.279 175.900 -0.152 0.000 1.145 1280 Y CA 2.098 60.097 58.100 -0.168 0.000 1.148 1280 Y CB -0.222 38.068 38.460 -0.284 0.000 0.981 1280 Y HN 0.109 nan 8.280 nan 0.000 0.507 1281 Q N 0.051 119.739 119.800 -0.186 0.000 2.096 1281 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 1281 Q C 2.334 178.327 176.000 -0.012 0.000 0.982 1281 Q CA 1.690 57.467 55.803 -0.044 0.000 0.850 1281 Q CB -0.364 28.454 28.738 0.134 0.000 0.901 1281 Q HN 0.631 nan 8.270 nan 0.000 0.422 1282 A N -0.177 122.621 122.820 -0.037 0.000 1.898 1282 A HA -0.124 4.197 4.320 0.001 0.000 0.216 1282 A C 2.233 179.776 177.584 -0.068 0.000 1.181 1282 A CA 1.595 53.607 52.037 -0.041 0.000 0.620 1282 A CB -0.528 18.465 19.000 -0.011 0.000 0.819 1282 A HN 0.403 nan 8.150 nan 0.000 0.442 1283 S N -0.191 115.448 115.700 -0.102 0.000 2.368 1283 S HA -0.164 4.306 4.470 0.001 0.000 0.225 1283 S C 2.322 176.830 174.600 -0.153 0.000 1.030 1283 S CA 1.488 59.617 58.200 -0.118 0.000 0.999 1283 S CB -0.425 62.712 63.200 -0.105 0.000 0.844 1283 S HN 0.737 nan 8.310 nan 0.000 0.459 1284 S N 0.924 116.492 115.700 -0.220 0.000 2.374 1284 S HA -0.175 4.296 4.470 0.001 0.000 0.227 1284 S C 1.643 176.282 174.600 0.065 0.000 1.037 1284 S CA 1.335 59.477 58.200 -0.095 0.000 1.024 1284 S CB -0.541 62.586 63.200 -0.122 0.000 0.861 1284 S HN 0.464 nan 8.310 nan 0.000 0.456 1285 F N 2.360 122.082 119.950 -0.381 0.000 2.102 1285 F HA -0.018 4.510 4.527 0.000 0.000 0.298 1285 F C 2.602 178.105 175.800 -0.495 0.000 1.105 1285 F CA 1.877 59.312 58.000 -0.941 0.000 1.239 1285 F CB -0.768 37.501 39.000 -1.219 0.000 0.991 1285 F HN 0.223 nan 8.300 nan 0.000 0.474 1286 Q N 0.574 120.134 119.800 -0.401 0.000 2.124 1286 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 1286 Q C 2.110 177.933 176.000 -0.295 0.000 0.977 1286 Q CA 1.689 57.264 55.803 -0.380 0.000 0.850 1286 Q CB -0.613 28.007 28.738 -0.198 0.000 0.901 1286 Q HN 0.584 nan 8.270 nan 0.000 0.429 1287 E N 0.306 120.385 120.200 -0.201 0.000 2.106 1287 E HA -0.108 4.243 4.350 0.001 0.000 0.192 1287 E C 2.003 178.527 176.600 -0.127 0.000 0.984 1287 E CA 0.913 57.234 56.400 -0.131 0.000 0.806 1287 E CB -0.138 29.512 29.700 -0.084 0.000 0.750 1287 E HN 0.176 nan 8.360 nan 0.000 0.458 1288 S N 0.814 116.437 115.700 -0.128 0.000 2.382 1288 S HA -0.096 4.375 4.470 0.001 0.000 0.228 1288 S C 2.108 176.605 174.600 -0.172 0.000 1.027 1288 S CA 0.595 58.755 58.200 -0.067 0.000 0.991 1288 S CB -0.140 63.137 63.200 0.128 0.000 0.823 1288 S HN 0.154 nan 8.310 nan 0.000 0.469 1289 L N 1.165 122.182 121.223 -0.344 0.000 2.083 1289 L HA -0.074 4.267 4.340 0.001 0.000 0.209 1289 L C 1.714 178.474 176.870 -0.183 0.000 1.083 1289 L CA 1.000 55.648 54.840 -0.320 0.000 0.752 1289 L CB -0.527 41.264 42.059 -0.447 0.000 0.899 1289 L HN 0.579 nan 8.230 nan 0.000 0.433 1321 H N -0.182 118.882 119.070 -0.010 0.000 2.679 1321 H HA 0.609 5.165 4.556 0.000 0.000 0.367 1321 H C -0.498 174.834 175.328 0.008 0.000 1.162 1321 H CA -0.287 55.764 56.048 0.005 0.000 1.181 1321 H CB 2.554 32.323 29.762 0.011 0.000 1.693 1321 H HN 0.550 nan 8.280 nan 0.000 0.538 1322 I N 0.141 120.801 120.570 0.150 0.000 2.577 1322 I HA 0.461 4.631 4.170 0.001 0.000 0.305 1322 I C -0.106 176.090 176.117 0.132 0.000 0.986 1322 I CA -0.860 60.500 61.300 0.099 0.000 1.189 1322 I CB 0.758 38.797 38.000 0.065 0.000 1.355 1322 I HN 0.432 nan 8.210 nan 0.000 0.476 1323 I N 0.774 121.408 120.570 0.107 0.000 2.957 1323 I HA 0.778 4.948 4.170 0.001 0.000 0.310 1323 I C -0.767 175.431 176.117 0.135 0.000 1.063 1323 I CA -1.046 60.357 61.300 0.171 0.000 1.033 1323 I CB 1.870 39.938 38.000 0.113 0.000 1.230 1323 I HN 0.531 nan 8.210 nan 0.000 0.447 1324 K N 2.386 122.887 120.400 0.167 0.000 2.345 1324 K HA 0.546 4.866 4.320 0.001 0.000 0.255 1324 K C -1.752 175.074 176.600 0.376 0.000 0.934 1324 K CA -0.428 55.905 56.287 0.076 0.000 0.801 1324 K CB 2.055 34.360 32.500 -0.324 0.000 1.137 1324 K HN 0.536 nan 8.250 nan 0.000 0.424 1325 F N 2.030 122.030 119.950 0.085 0.000 2.427 1325 F HA 0.483 5.011 4.527 0.001 0.000 0.348 1325 F C -0.008 175.672 175.800 -0.199 0.000 1.125 1325 F CA -1.669 56.341 58.000 0.016 0.000 0.989 1325 F CB 1.090 40.075 39.000 -0.024 0.000 1.165 1325 F HN 0.579 nan 8.300 nan 0.000 0.442 1326 G N 4.074 112.652 108.800 -0.370 0.000 2.372 1326 G HA2 0.436 4.396 3.960 0.001 0.000 0.286 1326 G HA3 0.436 4.396 3.960 0.001 0.000 0.286 1326 G C -0.468 174.147 174.900 -0.475 0.000 1.153 1326 G CA -0.036 44.652 45.100 -0.686 0.000 0.985 1326 G HN 0.772 nan 8.290 nan 0.000 0.429 1327 T N 1.452 115.675 114.554 -0.552 0.000 2.887 1327 T HA 0.379 4.729 4.350 0.001 0.000 0.292 1327 T C 0.412 174.879 174.700 -0.389 0.000 1.087 1327 T CA -0.543 61.228 62.100 -0.549 0.000 1.009 1327 T CB 0.787 69.116 68.868 -0.898 0.000 1.203 1327 T HN 0.561 nan 8.240 nan 0.000 0.518 1328 N N 1.109 119.595 118.700 -0.358 0.000 2.710 1328 N HA -0.152 4.589 4.740 0.001 0.000 0.249 1328 N C -0.418 174.921 175.510 -0.284 0.000 1.059 1328 N CA 0.614 53.490 53.050 -0.289 0.000 0.720 1328 N CB -1.573 36.828 38.487 -0.143 0.000 0.983 1328 N HN 0.617 nan 8.380 nan 0.000 0.544 1329 I N 0.567 120.904 120.570 -0.388 0.000 2.436 1329 I HA -0.005 4.165 4.170 0.001 0.000 0.289 1329 I C 0.824 176.833 176.117 -0.179 0.000 1.083 1329 I CA -0.281 60.893 61.300 -0.209 0.000 1.372 1329 I CB 0.394 38.268 38.000 -0.210 0.000 1.408 1329 I HN -0.038 nan 8.210 nan 0.000 0.516 1330 D N 7.714 128.115 120.400 0.002 0.000 2.339 1330 D HA 0.135 4.775 4.640 0.001 0.000 0.256 1330 D C 0.199 176.477 176.300 -0.036 0.000 1.214 1330 D CA 0.066 54.075 54.000 0.015 0.000 0.877 1330 D CB 0.824 41.687 40.800 0.105 0.000 1.111 1330 D HN 0.404 nan 8.370 nan 0.000 0.478 1331 L N 3.446 124.546 121.223 -0.206 0.000 2.978 1331 L HA 0.086 4.427 4.340 0.001 0.000 0.239 1331 L C 1.687 178.542 176.870 -0.024 0.000 1.293 1331 L CA -0.179 54.434 54.840 -0.379 0.000 1.085 1331 L CB -0.236 41.495 42.059 -0.547 0.000 1.432 1331 L HN 0.367 nan 8.230 nan 0.000 0.512 1332 S N -2.631 113.119 115.700 0.083 0.000 2.436 1332 S HA -0.096 4.374 4.470 0.001 0.000 0.228 1332 S C 0.930 175.620 174.600 0.150 0.000 1.014 1332 S CA 0.002 58.258 58.200 0.094 0.000 0.950 1332 S CB -0.096 63.149 63.200 0.075 0.000 0.784 1332 S HN 0.399 nan 8.310 nan 0.000 0.504 1333 D N 2.264 122.821 120.400 0.262 0.000 2.357 1333 D HA 0.357 4.998 4.640 0.001 0.000 0.265 1333 D C 1.113 177.507 176.300 0.157 0.000 1.334 1333 D CA 0.283 54.397 54.000 0.190 0.000 0.984 1333 D CB 0.824 41.720 40.800 0.161 0.000 1.077 1333 D HN 0.318 nan 8.370 nan 0.000 0.514 1334 A N 4.593 127.465 122.820 0.088 0.000 2.121 1334 A HA -0.162 4.159 4.320 0.001 0.000 0.218 1334 A C 2.034 179.629 177.584 0.018 0.000 1.154 1334 A CA 1.055 53.129 52.037 0.062 0.000 0.679 1334 A CB -0.145 18.874 19.000 0.032 0.000 0.795 1334 A HN 0.585 nan 8.150 nan 0.000 0.458 1335 K N -0.305 120.082 120.400 -0.022 0.000 2.005 1335 K HA -0.067 4.253 4.320 0.001 0.000 0.206 1335 K C 2.277 178.788 176.600 -0.149 0.000 1.044 1335 K CA 0.957 57.203 56.287 -0.069 0.000 0.942 1335 K CB -0.273 32.185 32.500 -0.070 0.000 0.727 1335 K HN 0.330 nan 8.250 nan 0.000 0.439 1336 R N -0.567 119.770 120.500 -0.270 0.000 2.105 1336 R HA -0.138 4.202 4.340 0.001 0.000 0.239 1336 R C 0.708 176.604 176.300 -0.674 0.000 1.135 1336 R CA 2.003 57.744 56.100 -0.598 0.000 0.967 1336 R CB -0.098 29.659 30.300 -0.904 0.000 0.861 1336 R HN 0.376 nan 8.270 nan 0.000 0.442 1337 W N -0.158 121.089 121.300 -0.089 0.000 2.926 1337 W HA 0.286 4.946 4.660 0.001 0.000 0.419 1337 W C 1.322 177.787 176.519 -0.091 0.000 0.993 1337 W CA -0.958 56.324 57.345 -0.105 0.000 2.025 1337 W CB 0.492 29.889 29.460 -0.104 0.000 1.152 1337 W HN 0.044 nan 8.180 nan 0.000 0.659 1338 K N 1.753 122.193 120.400 0.067 0.000 2.020 1338 K HA -0.201 4.120 4.320 0.001 0.000 0.212 1338 K C -0.669 175.944 176.600 0.021 0.000 1.050 1338 K CA 1.823 58.129 56.287 0.032 0.000 0.929 1338 K CB -0.923 31.573 32.500 -0.007 0.000 0.714 1338 K HN 0.023 nan 8.250 nan 0.000 0.443 1339 P HA -0.114 nan 4.420 nan 0.000 0.217 1339 P C 0.881 178.148 177.300 -0.055 0.000 1.150 1339 P CA 1.288 64.372 63.100 -0.027 0.000 0.832 1339 P CB 0.047 31.720 31.700 -0.045 0.000 0.787 1340 Q N -0.301 119.446 119.800 -0.088 0.000 1.993 1340 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 1340 Q C 2.320 178.360 176.000 0.067 0.000 0.984 1340 Q CA 1.433 57.108 55.803 -0.213 0.000 0.837 1340 Q CB -1.297 27.296 28.738 -0.242 0.000 0.902 1340 Q HN 0.216 nan 8.270 nan 0.000 0.423 1341 L N 0.210 121.476 121.223 0.072 0.000 2.093 1341 L HA -0.209 4.131 4.340 0.001 0.000 0.208 1341 L C 2.377 179.255 176.870 0.013 0.000 1.085 1341 L CA 1.183 56.047 54.840 0.040 0.000 0.755 1341 L CB -0.438 41.638 42.059 0.028 0.000 0.904 1341 L HN 0.348 nan 8.230 nan 0.000 0.435 1342 Q N -0.393 119.420 119.800 0.022 0.000 2.224 1342 Q HA -0.236 4.104 4.340 0.001 0.000 0.203 1342 Q C 1.993 178.015 176.000 0.037 0.000 0.970 1342 Q CA 1.152 56.966 55.803 0.018 0.000 0.865 1342 Q CB 0.014 28.762 28.738 0.016 0.000 0.922 1342 Q HN 0.380 nan 8.270 nan 0.000 0.445 1343 E N 1.302 121.539 120.200 0.062 0.000 2.077 1343 E HA -0.139 4.212 4.350 0.001 0.000 0.193 1343 E C 1.741 178.401 176.600 0.099 0.000 0.989 1343 E CA 0.915 57.373 56.400 0.098 0.000 0.800 1343 E CB -0.176 29.614 29.700 0.150 0.000 0.746 1343 E HN 0.295 nan 8.360 nan 0.000 0.452 1344 L N 0.240 121.510 121.223 0.079 0.000 2.362 1344 L HA -0.092 4.248 4.340 0.001 0.000 0.219 1344 L C 2.054 178.897 176.870 -0.045 0.000 1.134 1344 L CA 0.393 55.227 54.840 -0.010 0.000 0.807 1344 L CB -0.365 41.592 42.059 -0.170 0.000 0.927 1344 L HN 0.214 nan 8.230 nan 0.000 0.447 1345 L N -0.299 120.914 121.223 -0.017 0.000 2.456 1345 L HA -0.161 4.179 4.340 0.001 0.000 0.224 1345 L C 2.214 179.120 176.870 0.060 0.000 1.148 1345 L CA 0.882 55.725 54.840 0.004 0.000 0.825 1345 L CB -0.459 41.612 42.059 0.020 0.000 0.937 1345 L HN 0.260 nan 8.230 nan 0.000 0.450 1346 K N 0.171 120.617 120.400 0.076 0.000 2.365 1346 K HA 0.022 4.342 4.320 0.001 0.000 0.199 1346 K C 0.639 177.305 176.600 0.109 0.000 1.045 1346 K CA 0.361 56.727 56.287 0.131 0.000 0.962 1346 K CB 0.001 32.575 32.500 0.125 0.000 0.759 1346 K HN 0.262 nan 8.250 nan 0.000 0.469 1347 L N 2.779 123.998 121.223 -0.008 0.000 2.439 1347 L HA 0.120 4.460 4.340 0.001 0.000 0.269 1347 L C -2.030 174.625 176.870 -0.358 0.000 1.179 1347 L CA -2.193 52.547 54.840 -0.167 0.000 0.828 1347 L CB -0.097 41.888 42.059 -0.123 0.000 1.106 1347 L HN -0.093 nan 8.230 nan 0.000 0.467 1348 P HA -0.031 nan 4.420 nan 0.000 0.268 1348 P C 0.081 177.064 177.300 -0.530 0.000 1.208 1348 P CA -0.100 62.380 63.100 -1.034 0.000 0.777 1348 P CB 0.723 31.574 31.700 -1.416 0.000 0.875 1349 A N 3.178 125.912 122.820 -0.144 0.000 1.940 1349 A HA -0.219 4.102 4.320 0.001 0.000 0.219 1349 A C 1.801 179.358 177.584 -0.044 0.000 1.176 1349 A CA 1.883 53.920 52.037 0.001 0.000 0.631 1349 A CB -1.738 17.381 19.000 0.199 0.000 0.814 1349 A HN 0.687 nan 8.150 nan 0.000 0.446 1350 F N -1.666 118.149 119.950 -0.225 0.000 2.451 1350 F HA 0.102 4.630 4.527 0.001 0.000 0.299 1350 F C 1.672 177.499 175.800 0.045 0.000 1.101 1350 F CA 0.964 58.849 58.000 -0.192 0.000 1.436 1350 F CB -0.504 38.187 39.000 -0.515 0.000 1.074 1350 F HN 0.084 nan 8.300 nan 0.000 0.553 1351 M N -0.363 118.973 119.600 -0.440 0.000 2.495 1351 M HA 0.183 4.663 4.480 0.001 0.000 0.237 1351 M C 1.537 177.954 176.300 0.196 0.000 1.131 1351 M CA 0.613 55.862 55.300 -0.085 0.000 1.032 1351 M CB 0.143 32.559 32.600 -0.307 0.000 1.513 1351 M HN 0.194 nan 8.290 nan 0.000 0.488 1352 R N -0.882 119.665 120.500 0.079 0.000 2.493 1352 R HA 0.258 4.599 4.340 0.001 0.000 0.177 1352 R C 0.231 176.530 176.300 -0.001 0.000 0.861 1352 R CA 0.185 56.305 56.100 0.034 0.000 1.083 1352 R CB 0.903 31.149 30.300 -0.090 0.000 1.328 1352 R HN 0.054 nan 8.270 nan 0.000 0.615 1353 V N 2.000 121.921 119.914 0.012 0.000 2.567 1353 V HA 0.230 4.350 4.120 0.001 0.000 0.289 1353 V C 0.174 176.271 176.094 0.005 0.000 1.049 1353 V CA -0.067 62.235 62.300 0.002 0.000 0.969 1353 V CB 1.691 33.530 31.823 0.027 0.000 0.995 1353 V HN 0.161 nan 8.190 nan 0.000 0.471 1354 T N 3.138 117.672 114.554 -0.034 0.000 2.829 1354 T HA 0.371 4.722 4.350 0.001 0.000 0.282 1354 T C -0.143 174.566 174.700 0.015 0.000 0.990 1354 T CA -0.145 61.917 62.100 -0.064 0.000 1.028 1354 T CB 1.342 70.099 68.868 -0.186 0.000 0.951 1354 T HN 0.698 nan 8.240 nan 0.000 0.460 1355 S N 2.045 117.778 115.700 0.057 0.000 2.449 1355 S HA 0.800 5.270 4.470 0.001 0.000 0.310 1355 S C -0.034 174.641 174.600 0.126 0.000 1.096 1355 S CA -0.329 57.924 58.200 0.088 0.000 1.095 1355 S CB 0.422 63.681 63.200 0.098 0.000 1.007 1355 S HN 1.069 nan 8.310 nan 0.000 0.474 1368 L N 5.600 126.846 121.223 0.037 0.000 2.591 1368 L HA 0.664 5.004 4.340 0.001 0.000 0.228 1368 L C 1.084 177.960 176.870 0.010 0.000 1.133 1368 L CA 1.480 56.339 54.840 0.032 0.000 0.880 1368 L CB -1.207 40.882 42.059 0.050 0.000 1.033 1368 L HN 1.218 nan 8.230 nan 0.000 0.450 1369 G N -0.024 108.776 108.800 0.000 0.000 2.542 1369 G HA2 -0.295 3.665 3.960 0.001 0.000 0.235 1369 G HA3 -0.295 3.665 3.960 0.001 0.000 0.235 1369 G C -0.202 174.669 174.900 -0.048 0.000 1.286 1369 G CA 0.156 45.245 45.100 -0.019 0.000 0.904 1369 G HN 0.755 nan 8.290 nan 0.000 0.577 1370 M N 1.155 120.709 119.600 -0.077 0.000 2.238 1370 M HA 0.392 4.873 4.480 0.001 0.000 0.350 1370 M C 0.314 176.546 176.300 -0.112 0.000 1.138 1370 M CA -0.861 54.361 55.300 -0.130 0.000 1.040 1370 M CB 0.649 33.119 32.600 -0.217 0.000 1.639 1370 M HN 0.639 nan 8.290 nan 0.000 0.451 1371 N N 2.001 120.641 118.700 -0.100 0.000 2.415 1371 N HA 0.087 4.828 4.740 0.001 0.000 0.248 1371 N C -0.442 175.039 175.510 -0.048 0.000 1.271 1371 N CA 0.229 53.251 53.050 -0.047 0.000 0.913 1371 N CB 0.852 39.324 38.487 -0.025 0.000 1.129 1371 N HN 0.682 nan 8.380 nan 0.000 0.444 1372 T N -1.936 112.615 114.554 -0.004 0.000 2.916 1372 T HA 0.198 4.548 4.350 0.001 0.000 0.303 1372 T C 0.417 175.126 174.700 0.016 0.000 1.025 1372 T CA -0.757 61.335 62.100 -0.014 0.000 1.142 1372 T CB 0.163 69.037 68.868 0.010 0.000 0.947 1372 T HN 0.093 nan 8.240 nan 0.000 0.544 1373 V N 4.788 124.676 119.914 -0.043 0.000 2.614 1373 V HA 0.239 4.359 4.120 0.001 0.000 0.291 1373 V C 0.477 176.565 176.094 -0.011 0.000 1.049 1373 V CA -0.411 61.898 62.300 0.015 0.000 1.038 1373 V CB 0.936 32.694 31.823 -0.109 0.000 0.980 1373 V HN 0.886 nan 8.190 nan 0.000 0.481 1374 Q N 3.624 123.443 119.800 0.032 0.000 2.309 1374 Q HA 0.624 4.964 4.340 0.001 0.000 0.264 1374 Q C -0.881 174.936 176.000 -0.305 0.000 1.008 1374 Q CA -0.819 54.876 55.803 -0.181 0.000 0.853 1374 Q CB 2.959 31.593 28.738 -0.173 0.000 1.314 1374 Q HN 0.634 nan 8.270 nan 0.000 0.448 1375 L N 1.495 122.412 121.223 -0.511 0.000 2.334 1375 L HA 0.551 4.891 4.340 0.001 0.000 0.273 1375 L C -1.771 174.668 176.870 -0.719 0.000 1.013 1375 L CA -0.481 54.105 54.840 -0.423 0.000 0.816 1375 L CB 1.196 43.090 42.059 -0.275 0.000 1.278 1375 L HN 0.450 nan 8.230 nan 0.000 0.431 1376 Y N 4.420 124.729 120.300 0.016 0.000 2.373 1376 Y HA 0.622 5.172 4.550 0.001 0.000 0.336 1376 Y C -0.513 175.461 175.900 0.123 0.000 0.979 1376 Y CA -0.710 57.442 58.100 0.086 0.000 1.080 1376 Y CB 1.928 40.519 38.460 0.218 0.000 1.190 1376 Y HN 0.430 nan 8.280 nan 0.000 0.446 1377 M N 4.545 124.261 119.600 0.192 0.000 2.167 1377 M HA 0.525 5.005 4.480 0.001 0.000 0.333 1377 M C -0.963 175.525 176.300 0.314 0.000 1.030 1377 M CA -0.475 54.942 55.300 0.194 0.000 0.963 1377 M CB 1.616 34.262 32.600 0.077 0.000 1.589 1377 M HN 0.540 nan 8.290 nan 0.000 0.431 1378 K N 1.979 122.568 120.400 0.315 0.000 2.395 1378 K HA 0.853 5.173 4.320 0.001 0.000 0.247 1378 K C -0.986 175.709 176.600 0.159 0.000 0.973 1378 K CA -1.041 55.349 56.287 0.172 0.000 0.828 1378 K CB 2.991 35.426 32.500 -0.109 0.000 1.272 1378 K HN 0.564 nan 8.250 nan 0.000 0.439 1379 V N -2.044 117.872 119.914 0.004 0.000 3.074 1379 V HA 0.569 4.690 4.120 0.001 0.000 0.314 1379 V C -2.857 172.957 176.094 -0.467 0.000 1.117 1379 V CA -3.093 59.025 62.300 -0.303 0.000 1.014 1379 V CB 1.628 33.424 31.823 -0.044 0.000 1.057 1379 V HN 0.503 nan 8.190 nan 0.000 0.438 1380 P HA 0.320 nan 4.420 nan 0.000 0.262 1380 P C 0.945 178.044 177.300 -0.334 0.000 1.182 1380 P CA 2.058 64.823 63.100 -0.559 0.000 0.761 1380 P CB 0.668 31.951 31.700 -0.694 0.000 0.795 1381 G N 1.849 110.488 108.800 -0.269 0.000 2.213 1381 G HA2 -0.235 3.726 3.960 0.001 0.000 0.236 1381 G HA3 -0.235 3.726 3.960 0.001 0.000 0.236 1381 G C 0.299 175.038 174.900 -0.270 0.000 0.991 1381 G CA -0.166 44.800 45.100 -0.223 0.000 0.629 1381 G HN 0.549 nan 8.290 nan 0.000 0.517 1382 S N 1.538 117.033 115.700 -0.342 0.000 2.509 1382 S HA 0.460 4.930 4.470 0.001 0.000 0.287 1382 S C 0.625 174.864 174.600 -0.601 0.000 1.248 1382 S CA 0.169 58.050 58.200 -0.533 0.000 1.089 1382 S CB 0.644 63.329 63.200 -0.858 0.000 0.900 1382 S HN 0.506 nan 8.310 nan 0.000 0.496 1383 R N 1.897 122.164 120.500 -0.388 0.000 2.514 1383 R HA 0.412 4.752 4.340 0.001 0.000 0.301 1383 R C -0.655 175.672 176.300 0.046 0.000 0.962 1383 R CA -0.512 55.454 56.100 -0.224 0.000 0.882 1383 R CB 1.644 31.707 30.300 -0.395 0.000 1.143 1383 R HN 0.391 nan 8.270 nan 0.000 0.452 1384 T N 5.519 120.132 114.554 0.098 0.000 2.770 1384 T HA 0.285 4.635 4.350 0.001 0.000 0.297 1384 T C -2.238 172.558 174.700 0.160 0.000 0.997 1384 T CA -1.565 60.604 62.100 0.115 0.000 0.949 1384 T CB 1.283 70.140 68.868 -0.017 0.000 0.941 1384 T HN 0.332 nan 8.240 nan 0.000 0.457 1385 P HA 0.234 nan 4.420 nan 0.000 0.275 1385 P C 0.489 177.638 177.300 -0.251 0.000 1.266 1385 P CA -0.414 62.690 63.100 0.005 0.000 0.793 1385 P CB 0.387 31.996 31.700 -0.152 0.000 1.074 1386 G N 0.838 109.240 108.800 -0.663 0.000 2.305 1386 G HA2 0.364 4.324 3.960 0.001 0.000 0.243 1386 G HA3 0.364 4.324 3.960 0.001 0.000 0.243 1386 G C -0.079 174.196 174.900 -1.042 0.000 1.288 1386 G CA 0.149 44.680 45.100 -0.949 0.000 0.901 1386 G HN 0.860 nan 8.290 nan 0.000 0.516 1387 H N -0.604 118.089 119.070 -0.628 0.000 3.003 1387 H HA 0.430 4.987 4.556 0.001 0.000 0.327 1387 H C -0.865 174.379 175.328 -0.141 0.000 1.353 1387 H CA -1.029 54.778 56.048 -0.401 0.000 1.142 1387 H CB 0.848 30.378 29.762 -0.388 0.000 1.864 1387 H HN 0.586 nan 8.280 nan 0.000 0.529 1388 Q N 0.767 120.567 119.800 0.000 0.000 2.226 1388 Q HA 0.441 4.781 4.340 0.001 0.000 0.256 1388 Q C -0.759 175.322 176.000 0.134 0.000 0.962 1388 Q CA -1.093 54.761 55.803 0.086 0.000 0.887 1388 Q CB 2.151 30.984 28.738 0.159 0.000 1.282 1388 Q HN 0.460 nan 8.270 nan 0.000 0.449 1389 E N 1.766 122.064 120.200 0.163 0.000 2.373 1389 E HA 0.186 4.536 4.350 0.001 0.000 0.263 1389 E C -0.285 176.358 176.600 0.071 0.000 1.073 1389 E CA -0.324 56.179 56.400 0.172 0.000 0.894 1389 E CB 0.493 30.299 29.700 0.177 0.000 1.008 1389 E HN 0.516 nan 8.360 nan 0.000 0.420 1390 N N 1.915 120.638 118.700 0.039 0.000 2.354 1390 N HA 0.018 4.758 4.740 0.001 0.000 0.246 1390 N C 0.231 175.556 175.510 -0.310 0.000 1.285 1390 N CA -0.106 52.891 53.050 -0.089 0.000 0.925 1390 N CB 0.263 38.708 38.487 -0.069 0.000 1.174 1390 N HN 0.360 nan 8.380 nan 0.000 0.478 1391 N N 0.449 118.924 118.700 -0.375 0.000 2.693 1391 N HA -0.250 4.491 4.740 0.001 0.000 0.249 1391 N C -0.400 174.806 175.510 -0.507 0.000 1.119 1391 N CA 0.729 53.431 53.050 -0.581 0.000 0.717 1391 N CB -1.455 36.377 38.487 -1.092 0.000 1.071 1391 N HN 0.698 nan 8.380 nan 0.000 0.555 1392 N N -1.450 117.100 118.700 -0.249 0.000 2.693 1392 N HA -0.206 4.534 4.740 0.001 0.000 0.249 1392 N C -0.758 174.775 175.510 0.039 0.000 1.119 1392 N CA 0.764 53.758 53.050 -0.093 0.000 0.717 1392 N CB -1.085 37.365 38.487 -0.062 0.000 1.071 1392 N HN 0.339 nan 8.380 nan 0.000 0.555 1393 F N 0.164 120.104 119.950 -0.015 0.000 2.450 1393 F HA 0.212 4.739 4.527 0.000 0.000 0.339 1393 F C 1.550 177.291 175.800 -0.098 0.000 1.146 1393 F CA -1.098 56.878 58.000 -0.040 0.000 1.267 1393 F CB 0.234 39.215 39.000 -0.031 0.000 1.178 1393 F HN -0.017 nan 8.300 nan 0.000 0.585 1394 C N 1.191 120.504 119.300 0.021 0.000 2.398 1394 C HA 0.556 5.016 4.460 0.001 0.000 0.364 1394 C C 0.563 175.289 174.990 -0.439 0.000 1.219 1394 C CA -0.635 58.195 59.018 -0.313 0.000 2.312 1394 C CB 1.145 28.538 27.740 -0.579 0.000 2.428 1394 C HN 0.762 nan 8.230 nan 0.000 0.564 1395 S N 0.484 115.844 115.700 -0.567 0.000 2.532 1395 S HA 0.764 5.234 4.470 0.001 0.000 0.301 1395 S C -1.054 173.099 174.600 -0.744 0.000 1.083 1395 S CA -0.406 57.491 58.200 -0.504 0.000 1.025 1395 S CB 0.963 64.001 63.200 -0.270 0.000 1.056 1395 S HN 0.546 nan 8.310 nan 0.000 0.494 1396 V N 5.112 124.534 119.914 -0.820 0.000 2.540 1396 V HA 0.599 4.720 4.120 0.001 0.000 0.302 1396 V C -0.380 175.225 176.094 -0.816 0.000 1.035 1396 V CA -0.885 60.877 62.300 -0.897 0.000 0.873 1396 V CB 1.855 32.966 31.823 -1.185 0.000 0.992 1396 V HN 0.881 nan 8.190 nan 0.000 0.428 1397 N N 4.562 122.966 118.700 -0.493 0.000 2.371 1397 N HA 0.524 5.264 4.740 0.001 0.000 0.291 1397 N C -1.592 173.803 175.510 -0.191 0.000 1.053 1397 N CA -0.361 52.538 53.050 -0.250 0.000 0.870 1397 N CB 2.024 40.569 38.487 0.096 0.000 1.503 1397 N HN 0.598 nan 8.380 nan 0.000 0.485 1398 I N 2.188 122.669 120.570 -0.149 0.000 2.378 1398 I HA 0.227 4.398 4.170 0.001 0.000 0.291 1398 I C 0.124 176.234 176.117 -0.012 0.000 0.992 1398 I CA -0.927 60.321 61.300 -0.087 0.000 1.154 1398 I CB 1.548 39.490 38.000 -0.098 0.000 1.315 1398 I HN 0.421 nan 8.210 nan 0.000 0.448 1399 N N 6.592 125.306 118.700 0.023 0.000 2.422 1399 N HA 0.204 4.945 4.740 0.001 0.000 0.264 1399 N C 0.600 176.134 175.510 0.041 0.000 1.063 1399 N CA -0.221 52.863 53.050 0.058 0.000 0.959 1399 N CB 0.974 39.512 38.487 0.086 0.000 1.087 1399 N HN 0.454 nan 8.380 nan 0.000 0.483 1400 I N 1.847 122.450 120.570 0.055 0.000 2.876 1400 I HA 0.155 4.326 4.170 0.001 0.000 0.264 1400 I C 1.530 177.696 176.117 0.082 0.000 1.204 1400 I CA 0.880 62.226 61.300 0.076 0.000 1.485 1400 I CB -1.996 36.074 38.000 0.118 0.000 1.103 1400 I HN 0.745 nan 8.210 nan 0.000 0.446 1401 G N 2.350 111.197 108.800 0.078 0.000 2.725 1401 G HA2 -0.177 3.783 3.960 0.001 0.000 0.220 1401 G HA3 -0.177 3.783 3.960 0.001 0.000 0.220 1401 G C -1.963 172.981 174.900 0.074 0.000 1.357 1401 G CA -0.039 45.104 45.100 0.071 0.000 0.866 1401 G HN 0.096 nan 8.290 nan 0.000 0.548 1402 P HA 0.181 nan 4.420 nan 0.000 0.231 1402 P C 1.283 178.618 177.300 0.059 0.000 1.168 1402 P CA 1.684 64.805 63.100 0.036 0.000 0.779 1402 P CB 0.094 31.785 31.700 -0.015 0.000 0.844 1403 G N -0.024 108.826 108.800 0.084 0.000 2.557 1403 G HA2 0.282 4.243 3.960 0.001 0.000 0.292 1403 G HA3 0.282 4.243 3.960 0.001 0.000 0.292 1403 G C -0.764 174.176 174.900 0.066 0.000 1.237 1403 G CA -0.282 44.875 45.100 0.095 0.000 0.978 1403 G HN -0.072 nan 8.290 nan 0.000 0.498 1404 D N -1.745 118.687 120.400 0.053 0.000 2.268 1404 D HA 0.508 5.148 4.640 0.001 0.000 0.249 1404 D C -0.458 175.856 176.300 0.024 0.000 1.008 1404 D CA -0.059 53.969 54.000 0.048 0.000 0.939 1404 D CB 1.709 42.536 40.800 0.045 0.000 1.170 1404 D HN 0.275 nan 8.370 nan 0.000 0.468 1405 C N 0.357 119.692 119.300 0.058 0.000 2.493 1405 C HA 0.456 4.916 4.460 0.001 0.000 0.326 1405 C C 0.176 175.189 174.990 0.037 0.000 1.200 1405 C CA -0.651 58.378 59.018 0.018 0.000 1.739 1405 C CB 1.462 29.235 27.740 0.055 0.000 2.300 1405 C HN 0.542 nan 8.230 nan 0.000 0.500 1406 E N 0.814 120.961 120.200 -0.088 0.000 2.166 1406 E HA 0.438 4.789 4.350 0.001 0.000 0.275 1406 E C -1.698 174.671 176.600 -0.385 0.000 0.941 1406 E CA -0.331 55.956 56.400 -0.188 0.000 0.784 1406 E CB 0.904 30.513 29.700 -0.151 0.000 1.115 1406 E HN 0.629 nan 8.360 nan 0.000 0.399 1407 W N 3.562 124.288 121.300 -0.956 0.000 2.706 1407 W HA 0.507 5.167 4.660 0.000 0.000 0.346 1407 W C -0.967 174.710 176.519 -1.403 0.000 1.071 1407 W CA -0.372 56.321 57.345 -1.087 0.000 1.206 1407 W CB 1.124 29.590 29.460 -1.658 0.000 1.413 1407 W HN 0.383 nan 8.180 nan 0.000 0.542 1408 F N 1.630 121.154 119.950 -0.710 0.000 2.565 1408 F HA 0.815 5.342 4.527 0.000 0.000 0.313 1408 F C 0.199 175.460 175.800 -0.899 0.000 1.091 1408 F CA -1.188 56.217 58.000 -0.993 0.000 0.915 1408 F CB 1.759 39.544 39.000 -2.026 0.000 1.208 1408 F HN 0.368 nan 8.300 nan 0.000 0.453 1409 A N 1.489 124.145 122.820 -0.273 0.000 2.604 1409 A HA 0.870 5.190 4.320 0.001 0.000 0.295 1409 A C -2.076 175.694 177.584 0.310 0.000 1.067 1409 A CA -0.746 51.320 52.037 0.048 0.000 0.683 1409 A CB 1.626 20.755 19.000 0.215 0.000 1.281 1409 A HN 0.536 nan 8.150 nan 0.000 0.407 1410 V N 2.480 122.654 119.914 0.433 0.000 2.789 1410 V HA 0.369 4.489 4.120 0.001 0.000 0.311 1410 V C -0.050 176.376 176.094 0.553 0.000 1.073 1410 V CA -0.745 61.881 62.300 0.544 0.000 0.921 1410 V CB 1.807 33.962 31.823 0.553 0.000 1.009 1410 V HN 1.009 nan 8.190 nan 0.000 0.426 1411 H N 3.056 122.461 119.070 0.559 0.000 2.972 1411 H HA -0.008 4.548 4.556 0.001 0.000 0.343 1411 H C 1.159 176.764 175.328 0.462 0.000 1.054 1411 H CA 0.737 57.060 56.048 0.457 0.000 1.412 1411 H CB 1.386 31.437 29.762 0.482 0.000 1.385 1411 H HN 0.950 nan 8.280 nan 0.000 0.600 1412 E N 2.903 123.195 120.200 0.154 0.000 2.209 1412 E HA -0.296 4.054 4.350 0.001 0.000 0.196 1412 E C 1.823 178.728 176.600 0.509 0.000 0.993 1412 E CA 1.882 58.468 56.400 0.310 0.000 0.819 1412 E CB -0.596 29.172 29.700 0.112 0.000 0.745 1412 E HN 0.851 nan 8.360 nan 0.000 0.477 1413 H N -0.383 118.992 119.070 0.509 0.000 2.431 1413 H HA -0.209 4.347 4.556 0.000 0.000 0.297 1413 H C 0.600 175.887 175.328 -0.067 0.000 1.115 1413 H CA 1.975 58.111 56.048 0.146 0.000 1.277 1413 H CB -0.185 29.448 29.762 -0.214 0.000 1.372 1413 H HN 0.340 nan 8.280 nan 0.000 0.516 1414 Y N 0.368 120.849 120.300 0.302 0.000 2.470 1414 Y HA -0.014 4.536 4.550 0.000 0.000 0.284 1414 Y C 1.742 177.671 175.900 0.048 0.000 1.188 1414 Y CA -0.077 58.087 58.100 0.106 0.000 1.269 1414 Y CB -0.678 37.927 38.460 0.242 0.000 1.094 1414 Y HN 0.503 nan 8.280 nan 0.000 0.518 1415 W N 1.098 122.492 121.300 0.157 0.000 2.325 1415 W HA -0.249 4.411 4.660 0.001 0.000 0.299 1415 W C 1.396 177.805 176.519 -0.183 0.000 1.215 1415 W CA 1.806 59.187 57.345 0.061 0.000 1.244 1415 W CB -0.785 28.719 29.460 0.074 0.000 1.140 1415 W HN 0.271 nan 8.180 nan 0.000 0.523 1416 E N 0.572 119.902 120.200 -1.451 0.000 2.106 1416 E HA -0.156 4.195 4.350 0.001 0.000 0.192 1416 E C 2.172 178.353 176.600 -0.699 0.000 0.984 1416 E CA 2.236 57.745 56.400 -1.485 0.000 0.806 1416 E CB -0.152 28.659 29.700 -1.482 0.000 0.750 1416 E HN 0.131 nan 8.360 nan 0.000 0.458 1417 T N 1.635 115.934 114.554 -0.425 0.000 2.746 1417 T HA -0.138 4.212 4.350 0.001 0.000 0.267 1417 T C 1.828 176.439 174.700 -0.149 0.000 1.039 1417 T CA 0.992 62.942 62.100 -0.251 0.000 1.142 1417 T CB -0.048 68.802 68.868 -0.029 0.000 0.866 1417 T HN 0.145 nan 8.240 nan 0.000 0.444 1418 I N 1.344 121.904 120.570 -0.017 0.000 2.179 1418 I HA -0.125 4.045 4.170 0.001 0.000 0.242 1418 I C 2.741 178.708 176.117 -0.249 0.000 1.088 1418 I CA 1.187 62.519 61.300 0.053 0.000 1.357 1418 I CB -1.610 36.546 38.000 0.260 0.000 1.051 1418 I HN 0.240 nan 8.210 nan 0.000 0.409 1419 S N 0.639 116.071 115.700 -0.447 0.000 2.383 1419 S HA -0.163 4.308 4.470 0.001 0.000 0.229 1419 S C 2.203 176.568 174.600 -0.390 0.000 1.030 1419 S CA 1.544 59.438 58.200 -0.510 0.000 1.002 1419 S CB -0.178 62.669 63.200 -0.588 0.000 0.829 1419 S HN 0.493 nan 8.310 nan 0.000 0.467 1420 A N 0.109 122.665 122.820 -0.441 0.000 1.930 1420 A HA 0.071 4.391 4.320 0.001 0.000 0.217 1420 A C 1.842 179.090 177.584 -0.560 0.000 1.175 1420 A CA 1.298 53.051 52.037 -0.474 0.000 0.627 1420 A CB -0.899 17.784 19.000 -0.529 0.000 0.815 1420 A HN 0.585 nan 8.150 nan 0.000 0.443 1421 F N -0.262 119.327 119.950 -0.601 0.000 2.146 1421 F HA -0.184 4.343 4.527 0.000 0.000 0.298 1421 F C 2.724 178.000 175.800 -0.875 0.000 1.096 1421 F CA 1.055 58.528 58.000 -0.879 0.000 1.275 1421 F CB -0.948 37.202 39.000 -1.416 0.000 1.008 1421 F HN 0.257 nan 8.300 nan 0.000 0.480 1422 C N 0.029 118.973 119.300 -0.594 0.000 2.413 1422 C HA -0.213 4.248 4.460 0.001 0.000 0.276 1422 C C 2.542 177.378 174.990 -0.258 0.000 1.236 1422 C CA 1.173 59.924 59.018 -0.446 0.000 1.735 1422 C CB -0.931 26.523 27.740 -0.476 0.000 2.031 1422 C HN 0.425 nan 8.230 nan 0.000 0.474 1423 D N -0.013 120.234 120.400 -0.255 0.000 2.123 1423 D HA -0.139 4.502 4.640 0.001 0.000 0.196 1423 D C 2.302 178.466 176.300 -0.228 0.000 0.992 1423 D CA 0.988 54.872 54.000 -0.193 0.000 0.833 1423 D CB -0.563 40.119 40.800 -0.195 0.000 0.954 1423 D HN 0.506 nan 8.370 nan 0.000 0.455 1424 R N 0.065 120.355 120.500 -0.351 0.000 2.105 1424 R HA -0.142 4.199 4.340 0.001 0.000 0.239 1424 R C 1.354 177.384 176.300 -0.449 0.000 1.135 1424 R CA 1.237 57.072 56.100 -0.442 0.000 0.967 1424 R CB -0.073 29.854 30.300 -0.622 0.000 0.861 1424 R HN 0.311 nan 8.270 nan 0.000 0.442 1425 H N -1.327 117.645 119.070 -0.164 0.000 2.526 1425 H HA 0.178 4.734 4.556 0.000 0.000 0.274 1425 H C 0.798 176.106 175.328 -0.033 0.000 0.999 1425 H CA 0.743 56.742 56.048 -0.080 0.000 1.157 1425 H CB 0.901 30.625 29.762 -0.065 0.000 1.407 1425 H HN 0.574 nan 8.280 nan 0.000 0.568 1426 G N 1.330 110.137 108.800 0.012 0.000 2.160 1426 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 1426 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 1426 G C 0.326 175.260 174.900 0.056 0.000 1.022 1426 G CA 0.474 45.588 45.100 0.024 0.000 0.741 1426 G HN 0.403 nan 8.290 nan 0.000 0.508 1427 V N -2.662 117.287 119.914 0.059 0.000 2.628 1427 V HA 0.799 4.920 4.120 0.001 0.000 0.306 1427 V C -0.022 176.122 176.094 0.084 0.000 1.045 1427 V CA -1.288 61.079 62.300 0.113 0.000 0.905 1427 V CB 2.167 34.111 31.823 0.202 0.000 0.997 1427 V HN 0.178 nan 8.190 nan 0.000 0.436 1428 D N 1.635 122.125 120.400 0.151 0.000 2.348 1428 D HA 0.215 4.855 4.640 0.001 0.000 0.253 1428 D C 0.547 177.010 176.300 0.273 0.000 1.161 1428 D CA -0.055 54.044 54.000 0.166 0.000 0.876 1428 D CB 0.963 41.855 40.800 0.153 0.000 1.160 1428 D HN 0.665 nan 8.370 nan 0.000 0.459 1429 Y N 4.053 124.408 120.300 0.091 0.000 2.097 1429 Y HA -0.188 4.363 4.550 0.001 0.000 0.282 1429 Y C 1.397 177.568 175.900 0.452 0.000 1.152 1429 Y CA 1.732 59.933 58.100 0.169 0.000 1.136 1429 Y CB -0.145 38.364 38.460 0.082 0.000 0.975 1429 Y HN 0.531 nan 8.280 nan 0.000 0.498 1430 L N -0.876 120.470 121.223 0.206 0.000 2.095 1430 L HA -0.117 4.224 4.340 0.001 0.000 0.204 1430 L C 2.241 179.151 176.870 0.067 0.000 1.080 1430 L CA 1.898 56.772 54.840 0.057 0.000 0.759 1430 L CB -0.645 41.480 42.059 0.110 0.000 0.914 1430 L HN 0.424 nan 8.230 nan 0.000 0.439 1431 T N -4.376 110.249 114.554 0.118 0.000 2.985 1431 T HA 0.209 4.559 4.350 0.001 0.000 0.254 1431 T C 0.957 175.710 174.700 0.090 0.000 1.021 1431 T CA 0.183 62.325 62.100 0.071 0.000 0.957 1431 T CB 0.092 68.995 68.868 0.059 0.000 1.047 1431 T HN 0.169 nan 8.240 nan 0.000 0.511 1432 G N 0.970 109.896 108.800 0.210 0.000 2.616 1432 G HA2 0.446 4.406 3.960 0.001 0.000 0.268 1432 G HA3 0.446 4.406 3.960 0.001 0.000 0.268 1432 G C -0.735 174.263 174.900 0.163 0.000 1.213 1432 G CA -0.531 44.725 45.100 0.259 0.000 0.926 1432 G HN 0.331 nan 8.290 nan 0.000 0.523 1433 S N 0.876 116.677 115.700 0.168 0.000 2.594 1433 S HA 0.625 5.095 4.470 0.001 0.000 0.322 1433 S C -0.823 173.860 174.600 0.139 0.000 1.085 1433 S CA -0.841 57.352 58.200 -0.013 0.000 1.116 1433 S CB -0.129 63.069 63.200 -0.004 0.000 0.979 1433 S HN 0.596 nan 8.310 nan 0.000 0.465 1434 W N 3.600 124.939 121.300 0.065 0.000 3.107 1434 W HA 0.522 5.182 4.660 0.001 0.000 0.331 1434 W C -1.639 174.865 176.519 -0.025 0.000 1.204 1434 W CA -1.329 56.063 57.345 0.079 0.000 1.184 1434 W CB 0.623 30.209 29.460 0.210 0.000 1.421 1434 W HN 0.658 nan 8.180 nan 0.000 0.544 1435 W N 4.489 125.691 121.300 -0.162 0.000 2.463 1435 W HA 0.345 5.006 4.660 0.000 0.000 0.316 1435 W C -2.739 173.155 176.519 -1.042 0.000 1.004 1435 W CA -2.244 54.747 57.345 -0.589 0.000 1.309 1435 W CB 2.027 31.213 29.460 -0.456 0.000 1.288 1435 W HN -0.011 nan 8.180 nan 0.000 0.423 1436 P HA -0.010 nan 4.420 nan 0.000 0.265 1436 P C -0.029 176.309 177.300 -1.603 0.000 1.193 1436 P CA 0.779 62.515 63.100 -2.274 0.000 0.765 1436 P CB 0.723 31.263 31.700 -1.932 0.000 0.823 1437 I N 4.026 123.648 120.570 -1.580 0.000 2.379 1437 I HA 0.016 4.186 4.170 0.001 0.000 0.290 1437 I C 1.791 177.561 176.117 -0.578 0.000 1.063 1437 I CA -0.078 60.752 61.300 -0.785 0.000 1.351 1437 I CB 0.322 38.029 38.000 -0.487 0.000 1.410 1437 I HN 0.366 nan 8.210 nan 0.000 0.505 1438 L N 4.570 125.514 121.223 -0.465 0.000 2.083 1438 L HA -0.172 4.168 4.340 0.001 0.000 0.209 1438 L C 1.768 178.340 176.870 -0.497 0.000 1.083 1438 L CA 1.226 55.760 54.840 -0.509 0.000 0.752 1438 L CB -0.396 41.462 42.059 -0.335 0.000 0.899 1438 L HN 0.632 nan 8.230 nan 0.000 0.433 1439 D N 0.136 120.417 120.400 -0.199 0.000 2.149 1439 D HA -0.189 4.452 4.640 0.001 0.000 0.198 1439 D C 1.765 178.041 176.300 -0.041 0.000 0.990 1439 D CA 1.185 55.175 54.000 -0.016 0.000 0.839 1439 D CB -0.229 40.581 40.800 0.016 0.000 0.948 1439 D HN 0.272 nan 8.370 nan 0.000 0.460 1440 D N 0.078 120.398 120.400 -0.134 0.000 2.123 1440 D HA -0.105 4.535 4.640 0.001 0.000 0.196 1440 D C 2.339 178.577 176.300 -0.104 0.000 0.992 1440 D CA 0.471 54.387 54.000 -0.141 0.000 0.833 1440 D CB -0.304 40.231 40.800 -0.442 0.000 0.954 1440 D HN 0.246 nan 8.370 nan 0.000 0.455 1441 L N -0.389 120.701 121.223 -0.222 0.000 2.027 1441 L HA -0.191 4.149 4.340 0.001 0.000 0.206 1441 L C 2.465 179.314 176.870 -0.034 0.000 1.074 1441 L CA 0.984 55.741 54.840 -0.138 0.000 0.745 1441 L CB -0.566 41.341 42.059 -0.255 0.000 0.898 1441 L HN 0.066 nan 8.230 nan 0.000 0.433 1442 Y N 0.234 120.541 120.300 0.012 0.000 2.224 1442 Y HA -0.145 4.405 4.550 0.001 0.000 0.289 1442 Y C 2.670 178.585 175.900 0.024 0.000 1.146 1442 Y CA 0.611 58.717 58.100 0.009 0.000 1.182 1442 Y CB -1.105 37.360 38.460 0.008 0.000 0.983 1442 Y HN 0.112 nan 8.280 nan 0.000 0.524 1443 A N -0.982 121.954 122.820 0.193 0.000 2.070 1443 A HA -0.109 4.212 4.320 0.001 0.000 0.220 1443 A C 2.100 179.764 177.584 0.133 0.000 1.159 1443 A CA 1.708 53.831 52.037 0.144 0.000 0.656 1443 A CB -0.677 18.402 19.000 0.132 0.000 0.800 1443 A HN 0.324 nan 8.150 nan 0.000 0.453 1444 S N -0.357 115.433 115.700 0.150 0.000 2.634 1444 S HA 0.126 4.596 4.470 0.001 0.000 0.221 1444 S C 0.606 175.263 174.600 0.094 0.000 0.952 1444 S CA 0.278 58.560 58.200 0.135 0.000 0.930 1444 S CB -0.284 63.040 63.200 0.206 0.000 0.780 1444 S HN 0.720 nan 8.310 nan 0.000 0.498 1445 N N 0.993 119.746 118.700 0.088 0.000 2.754 1445 N HA -0.165 4.575 4.740 0.001 0.000 0.248 1445 N C -0.966 174.536 175.510 -0.013 0.000 1.093 1445 N CA 0.358 53.447 53.050 0.064 0.000 0.699 1445 N CB -1.724 36.807 38.487 0.074 0.000 1.016 1445 N HN 0.487 nan 8.380 nan 0.000 0.552 1446 I N 0.636 121.164 120.570 -0.070 0.000 2.312 1446 I HA 0.348 4.518 4.170 0.001 0.000 0.290 1446 I C -1.984 174.055 176.117 -0.130 0.000 1.008 1446 I CA -2.042 59.051 61.300 -0.345 0.000 1.226 1446 I CB 1.454 39.244 38.000 -0.350 0.000 1.371 1446 I HN -0.042 nan 8.210 nan 0.000 0.468 1447 P HA 0.103 nan 4.420 nan 0.000 0.271 1447 P C -0.881 176.422 177.300 0.006 0.000 1.216 1447 P CA -0.096 62.980 63.100 -0.040 0.000 0.771 1447 P CB 0.745 32.389 31.700 -0.093 0.000 0.864 1448 V N 4.824 124.790 119.914 0.086 0.000 2.444 1448 V HA 0.268 4.389 4.120 0.001 0.000 0.294 1448 V C -0.445 175.673 176.094 0.040 0.000 1.022 1448 V CA -0.676 61.706 62.300 0.138 0.000 0.850 1448 V CB 0.594 32.540 31.823 0.205 0.000 0.992 1448 V HN 0.389 nan 8.190 nan 0.000 0.426 1449 Y N 4.108 124.496 120.300 0.148 0.000 2.359 1449 Y HA 0.553 5.104 4.550 0.001 0.000 0.330 1449 Y C 0.883 176.844 175.900 0.101 0.000 1.143 1449 Y CA -0.061 58.128 58.100 0.149 0.000 1.318 1449 Y CB 0.687 39.252 38.460 0.174 0.000 1.234 1449 Y HN 0.456 nan 8.280 nan 0.000 0.522 1450 R N 4.564 125.196 120.500 0.220 0.000 2.533 1450 R HA 0.557 4.897 4.340 0.001 0.000 0.288 1450 R C -1.668 174.685 176.300 0.088 0.000 1.039 1450 R CA -0.743 55.307 56.100 -0.084 0.000 0.909 1450 R CB 1.587 31.813 30.300 -0.123 0.000 1.195 1450 R HN 0.668 nan 8.270 nan 0.000 0.438 1451 F N -1.279 118.552 119.950 -0.198 0.000 2.741 1451 F HA 0.666 5.193 4.527 0.000 0.000 0.313 1451 F C -1.473 174.271 175.800 -0.092 0.000 1.153 1451 F CA -1.307 56.623 58.000 -0.117 0.000 0.931 1451 F CB 0.947 39.881 39.000 -0.110 0.000 1.335 1451 F HN 0.034 nan 8.300 nan 0.000 0.460 1452 V N 1.760 121.745 119.914 0.119 0.000 2.417 1452 V HA 0.415 4.536 4.120 0.001 0.000 0.291 1452 V C -0.720 175.450 176.094 0.127 0.000 1.024 1452 V CA -0.582 61.755 62.300 0.061 0.000 0.861 1452 V CB 1.428 33.279 31.823 0.047 0.000 0.985 1452 V HN 0.855 nan 8.190 nan 0.000 0.436 1453 Q N 5.375 125.249 119.800 0.124 0.000 2.331 1453 Q HA 0.457 4.798 4.340 0.001 0.000 0.257 1453 Q C -0.328 175.720 176.000 0.080 0.000 0.957 1453 Q CA -0.555 55.300 55.803 0.085 0.000 0.923 1453 Q CB 0.900 29.715 28.738 0.128 0.000 1.212 1453 Q HN 0.677 nan 8.270 nan 0.000 0.443 1454 R N 3.673 124.198 120.500 0.042 0.000 2.553 1454 R HA 0.451 4.792 4.340 0.001 0.000 0.263 1454 R C -2.357 173.965 176.300 0.036 0.000 1.066 1454 R CA -2.039 54.087 56.100 0.043 0.000 1.135 1454 R CB 0.236 30.558 30.300 0.037 0.000 1.148 1454 R HN 0.515 nan 8.270 nan 0.000 0.558 1455 P HA -0.050 nan 4.420 nan 0.000 0.265 1455 P C 0.488 177.804 177.300 0.027 0.000 1.193 1455 P CA 1.080 64.205 63.100 0.041 0.000 0.765 1455 P CB 0.478 32.206 31.700 0.047 0.000 0.823 1456 G N 1.924 110.737 108.800 0.021 0.000 2.225 1456 G HA2 -0.200 3.760 3.960 0.001 0.000 0.254 1456 G HA3 -0.200 3.760 3.960 0.001 0.000 0.254 1456 G C -0.117 174.769 174.900 -0.024 0.000 0.988 1456 G CA -0.203 44.901 45.100 0.008 0.000 0.625 1456 G HN 0.508 nan 8.290 nan 0.000 0.527 1457 D N 0.283 120.661 120.400 -0.037 0.000 2.304 1457 D HA 0.499 5.139 4.640 0.001 0.000 0.250 1457 D C 0.408 176.645 176.300 -0.105 0.000 1.107 1457 D CA -0.180 53.768 54.000 -0.086 0.000 0.885 1457 D CB 1.750 42.491 40.800 -0.098 0.000 1.192 1457 D HN 0.353 nan 8.370 nan 0.000 0.436 1458 L N 2.424 123.564 121.223 -0.139 0.000 2.282 1458 L HA 0.352 4.693 4.340 0.001 0.000 0.288 1458 L C -1.008 175.727 176.870 -0.224 0.000 1.033 1458 L CA -0.648 54.093 54.840 -0.165 0.000 0.807 1458 L CB 1.162 43.142 42.059 -0.133 0.000 1.209 1458 L HN 0.040 nan 8.230 nan 0.000 0.423 1459 V N 5.129 124.860 119.914 -0.305 0.000 2.394 1459 V HA 0.229 4.349 4.120 0.001 0.000 0.282 1459 V C -0.594 175.319 176.094 -0.301 0.000 1.031 1459 V CA -0.466 61.572 62.300 -0.437 0.000 0.881 1459 V CB 1.409 32.685 31.823 -0.912 0.000 0.982 1459 V HN 0.731 nan 8.190 nan 0.000 0.451 1460 W N 7.404 128.475 121.300 -0.382 0.000 2.314 1460 W HA 0.582 5.243 4.660 0.000 0.000 0.310 1460 W C -1.383 174.951 176.519 -0.307 0.000 1.075 1460 W CA -1.184 55.981 57.345 -0.300 0.000 1.253 1460 W CB 1.380 30.714 29.460 -0.211 0.000 1.238 1460 W HN 0.391 nan 8.180 nan 0.000 0.440 1461 I N 6.356 126.630 120.570 -0.493 0.000 2.315 1461 I HA 0.090 4.261 4.170 0.001 0.000 0.291 1461 I C 0.694 176.608 176.117 -0.340 0.000 1.006 1461 I CA -0.234 60.840 61.300 -0.376 0.000 1.265 1461 I CB 0.428 38.117 38.000 -0.518 0.000 1.387 1461 I HN 0.311 nan 8.210 nan 0.000 0.475 1462 N N 3.844 122.503 118.700 -0.069 0.000 2.381 1462 N HA 0.407 5.147 4.740 0.001 0.000 0.254 1462 N C -0.229 175.263 175.510 -0.030 0.000 1.264 1462 N CA -0.337 52.746 53.050 0.054 0.000 0.942 1462 N CB 0.993 39.515 38.487 0.059 0.000 1.190 1462 N HN 0.693 nan 8.380 nan 0.000 0.495 1463 A N 0.126 122.957 122.820 0.019 0.000 2.548 1463 A HA 0.418 4.739 4.320 0.001 0.000 0.247 1463 A C 1.343 178.927 177.584 0.001 0.000 1.067 1463 A CA 0.638 52.686 52.037 0.018 0.000 0.757 1463 A CB -1.057 17.970 19.000 0.045 0.000 0.996 1463 A HN 1.075 nan 8.150 nan 0.000 0.504 1464 G N 2.323 111.135 108.800 0.021 0.000 2.205 1464 G HA2 -0.244 3.716 3.960 0.001 0.000 0.261 1464 G HA3 -0.244 3.716 3.960 0.001 0.000 0.261 1464 G C 0.536 175.508 174.900 0.121 0.000 0.980 1464 G CA 0.629 45.760 45.100 0.052 0.000 0.632 1464 G HN 1.208 nan 8.290 nan 0.000 0.533 1465 T N 1.476 116.079 114.554 0.081 0.000 2.853 1465 T HA 0.404 4.754 4.350 0.001 0.000 0.298 1465 T C 0.733 175.617 174.700 0.307 0.000 0.978 1465 T CA 0.130 62.312 62.100 0.138 0.000 1.152 1465 T CB 1.768 70.649 68.868 0.022 0.000 0.914 1465 T HN 0.426 nan 8.240 nan 0.000 0.539 1466 V N 7.025 127.184 119.914 0.407 0.000 2.488 1466 V HA 0.330 4.450 4.120 0.001 0.000 0.277 1466 V C 0.375 176.787 176.094 0.529 0.000 1.046 1466 V CA -0.394 62.200 62.300 0.488 0.000 0.986 1466 V CB 0.085 32.294 31.823 0.642 0.000 0.989 1466 V HN 0.959 nan 8.190 nan 0.000 0.475 1467 H N 2.929 122.146 119.070 0.246 0.000 3.016 1467 H HA 0.636 5.192 4.556 0.000 0.000 0.362 1467 H C -1.538 173.918 175.328 0.212 0.000 1.233 1467 H CA -1.436 54.700 56.048 0.146 0.000 1.124 1467 H CB 1.586 31.378 29.762 0.051 0.000 1.850 1467 H HN 0.737 nan 8.280 nan 0.000 0.549 1468 W N 0.462 121.662 121.300 -0.167 0.000 3.213 1468 W HA 0.637 5.297 4.660 0.000 0.000 0.318 1468 W C -2.378 174.021 176.519 -0.201 0.000 1.248 1468 W CA -1.087 56.059 57.345 -0.332 0.000 1.187 1468 W CB 0.953 29.997 29.460 -0.694 0.000 1.403 1468 W HN 0.446 nan 8.180 nan 0.000 0.556 1469 V N 1.708 121.601 119.914 -0.034 0.000 2.932 1469 V HA 0.529 4.650 4.120 0.001 0.000 0.307 1469 V C -0.977 175.139 176.094 0.036 0.000 1.147 1469 V CA -0.901 61.222 62.300 -0.294 0.000 0.951 1469 V CB 1.651 32.937 31.823 -0.895 0.000 1.031 1469 V HN 0.730 nan 8.190 nan 0.000 0.426 1470 Q N 1.837 121.634 119.800 -0.006 0.000 2.347 1470 Q HA 0.787 5.127 4.340 0.001 0.000 0.271 1470 Q C -0.596 175.300 176.000 -0.173 0.000 1.064 1470 Q CA -0.590 55.179 55.803 -0.058 0.000 0.800 1470 Q CB 2.244 31.039 28.738 0.095 0.000 1.304 1470 Q HN 1.104 nan 8.270 nan 0.000 0.438 1471 A N 2.458 125.119 122.820 -0.264 0.000 2.440 1471 A HA 0.290 4.610 4.320 0.001 0.000 0.251 1471 A C 0.464 177.933 177.584 -0.192 0.000 1.089 1471 A CA 0.089 51.985 52.037 -0.235 0.000 0.779 1471 A CB 0.658 19.477 19.000 -0.301 0.000 1.022 1471 A HN 0.917 nan 8.150 nan 0.000 0.492 1472 T N 1.605 116.076 114.554 -0.138 0.000 3.039 1472 T HA 0.307 4.658 4.350 0.001 0.000 0.250 1472 T C 1.095 175.702 174.700 -0.154 0.000 1.052 1472 T CA 1.028 63.062 62.100 -0.111 0.000 1.125 1472 T CB 0.138 68.982 68.868 -0.040 0.000 0.908 1472 T HN 0.937 nan 8.240 nan 0.000 0.473 1473 G N -0.888 107.827 108.800 -0.141 0.000 3.251 1473 G HA2 0.506 4.466 3.960 0.001 0.000 0.248 1473 G HA3 0.506 4.466 3.960 0.001 0.000 0.248 1473 G C -1.439 173.327 174.900 -0.223 0.000 1.320 1473 G CA -0.820 44.213 45.100 -0.112 0.000 0.982 1473 G HN 0.223 nan 8.290 nan 0.000 0.575 1474 W N 0.931 122.221 121.300 -0.017 0.000 2.331 1474 W HA 0.488 5.148 4.660 0.001 0.000 0.306 1474 W C 0.004 176.504 176.519 -0.032 0.000 1.162 1474 W CA -0.549 56.777 57.345 -0.031 0.000 1.232 1474 W CB 0.818 30.210 29.460 -0.113 0.000 1.235 1474 W HN 0.745 nan 8.180 nan 0.000 0.479 1475 C N 1.944 121.343 119.300 0.164 0.000 3.311 1475 C HA 0.524 4.984 4.460 0.001 0.000 0.325 1475 C C -0.760 174.318 174.990 0.147 0.000 1.352 1475 C CA -1.096 57.998 59.018 0.128 0.000 1.308 1475 C CB 1.429 29.217 27.740 0.081 0.000 1.619 1475 C HN 0.602 nan 8.230 nan 0.000 0.469 1476 N N 1.591 120.378 118.700 0.145 0.000 2.384 1476 N HA 0.624 5.364 4.740 0.001 0.000 0.301 1476 N C -1.228 174.366 175.510 0.140 0.000 1.133 1476 N CA -0.261 52.886 53.050 0.162 0.000 0.853 1476 N CB 1.496 40.083 38.487 0.167 0.000 1.241 1476 N HN 0.801 nan 8.380 nan 0.000 0.502 1477 N N -0.138 118.672 118.700 0.184 0.000 2.240 1477 N HA 0.603 5.344 4.740 0.001 0.000 0.302 1477 N C -0.787 174.845 175.510 0.203 0.000 1.106 1477 N CA -0.720 52.433 53.050 0.172 0.000 0.778 1477 N CB 2.097 40.692 38.487 0.179 0.000 1.431 1477 N HN 0.473 nan 8.380 nan 0.000 0.479 1478 I N -1.652 118.969 120.570 0.085 0.000 2.530 1478 I HA 0.997 5.168 4.170 0.001 0.000 0.297 1478 I C -0.875 175.329 176.117 0.144 0.000 1.011 1478 I CA -1.049 60.304 61.300 0.088 0.000 1.107 1478 I CB 2.038 39.952 38.000 -0.143 0.000 1.285 1478 I HN 0.506 nan 8.210 nan 0.000 0.436 1479 A N 4.531 127.518 122.820 0.278 0.000 2.604 1479 A HA 0.885 5.205 4.320 0.001 0.000 0.295 1479 A C -1.995 175.775 177.584 0.309 0.000 1.067 1479 A CA -0.561 51.537 52.037 0.102 0.000 0.683 1479 A CB 1.271 20.371 19.000 0.166 0.000 1.281 1479 A HN 1.129 nan 8.150 nan 0.000 0.407 1480 W N 0.498 121.791 121.300 -0.011 0.000 3.059 1480 W HA 0.703 5.363 4.660 0.001 0.000 0.329 1480 W C -1.493 174.962 176.519 -0.107 0.000 1.246 1480 W CA -0.729 56.587 57.345 -0.049 0.000 1.190 1480 W CB 0.608 30.017 29.460 -0.085 0.000 1.423 1480 W HN 0.517 nan 8.180 nan 0.000 0.571 1481 N N 1.278 120.024 118.700 0.076 0.000 2.487 1481 N HA 0.589 5.330 4.740 0.001 0.000 0.292 1481 N C -1.084 174.289 175.510 -0.228 0.000 1.108 1481 N CA -0.494 52.491 53.050 -0.108 0.000 0.956 1481 N CB 2.050 40.551 38.487 0.023 0.000 1.176 1481 N HN 0.715 nan 8.380 nan 0.000 0.484 1482 V N -2.179 117.507 119.914 -0.380 0.000 2.760 1482 V HA 0.828 4.948 4.120 0.001 0.000 0.309 1482 V C 0.224 176.068 176.094 -0.416 0.000 1.077 1482 V CA -0.990 61.086 62.300 -0.372 0.000 0.910 1482 V CB 1.441 33.168 31.823 -0.160 0.000 1.008 1482 V HN 0.599 nan 8.190 nan 0.000 0.424 1483 G N 5.069 113.600 108.800 -0.448 0.000 2.546 1483 G HA2 0.599 4.559 3.960 0.001 0.000 0.320 1483 G HA3 0.599 4.559 3.960 0.001 0.000 0.320 1483 G C -2.276 172.672 174.900 0.080 0.000 0.984 1483 G CA -1.425 43.678 45.100 0.004 0.000 1.183 1483 G HN 0.724 nan 8.290 nan 0.000 0.443 1484 P HA 0.031 nan 4.420 nan 0.000 0.266 1484 P C 0.596 177.994 177.300 0.163 0.000 1.195 1484 P CA -0.127 63.102 63.100 0.215 0.000 0.768 1484 P CB 1.334 33.238 31.700 0.341 0.000 0.838 1485 L N 2.373 123.691 121.223 0.158 0.000 2.559 1485 L HA 0.007 4.347 4.340 0.001 0.000 0.282 1485 L C 1.725 178.660 176.870 0.108 0.000 1.232 1485 L CA 0.239 55.159 54.840 0.132 0.000 0.885 1485 L CB -0.404 41.752 42.059 0.162 0.000 1.131 1485 L HN 0.509 nan 8.230 nan 0.000 0.498 1486 T N -0.006 114.618 114.554 0.116 0.000 2.802 1486 T HA 0.181 4.531 4.350 0.001 0.000 0.305 1486 T C 1.290 176.055 174.700 0.109 0.000 1.053 1486 T CA -0.208 61.962 62.100 0.116 0.000 1.058 1486 T CB 1.111 70.085 68.868 0.176 0.000 0.988 1486 T HN 0.667 nan 8.240 nan 0.000 0.539 1487 A N 0.937 123.812 122.820 0.091 0.000 1.940 1487 A HA -0.085 4.235 4.320 0.001 0.000 0.219 1487 A C 2.029 179.699 177.584 0.143 0.000 1.176 1487 A CA 1.968 54.058 52.037 0.088 0.000 0.631 1487 A CB -1.409 17.624 19.000 0.055 0.000 0.814 1487 A HN 1.058 nan 8.150 nan 0.000 0.446 1488 Y N 0.149 120.471 120.300 0.037 0.000 2.220 1488 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 1488 Y C 2.356 178.278 175.900 0.038 0.000 1.129 1488 Y CA 2.013 60.131 58.100 0.030 0.000 1.161 1488 Y CB -0.606 37.870 38.460 0.027 0.000 0.997 1488 Y HN 0.402 nan 8.280 nan 0.000 0.522 1489 Q N -0.983 118.666 119.800 -0.252 0.000 2.061 1489 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 1489 Q C 2.073 178.020 176.000 -0.088 0.000 0.984 1489 Q CA 2.125 57.776 55.803 -0.253 0.000 0.846 1489 Q CB -0.547 28.168 28.738 -0.039 0.000 0.902 1489 Q HN 0.671 nan 8.270 nan 0.000 0.421 1490 Y N 1.254 121.497 120.300 -0.095 0.000 2.242 1490 Y HA -0.259 4.291 4.550 0.001 0.000 0.291 1490 Y C 2.364 178.217 175.900 -0.078 0.000 1.137 1490 Y CA 1.799 59.867 58.100 -0.052 0.000 1.181 1490 Y CB -0.194 38.246 38.460 -0.034 0.000 0.989 1490 Y HN 0.093 nan 8.280 nan 0.000 0.527 1491 Q N 0.502 120.182 119.800 -0.200 0.000 2.096 1491 Q HA -0.170 4.170 4.340 0.001 0.000 0.204 1491 Q C 2.038 177.850 176.000 -0.313 0.000 0.982 1491 Q CA 2.206 57.852 55.803 -0.261 0.000 0.850 1491 Q CB -0.639 28.040 28.738 -0.098 0.000 0.901 1491 Q HN 0.643 nan 8.270 nan 0.000 0.422 1492 L N -0.240 120.804 121.223 -0.298 0.000 2.012 1492 L HA -0.203 4.138 4.340 0.001 0.000 0.210 1492 L C 2.468 179.160 176.870 -0.297 0.000 1.073 1492 L CA 1.237 55.900 54.840 -0.295 0.000 0.748 1492 L CB -0.927 40.959 42.059 -0.288 0.000 0.891 1492 L HN 0.342 nan 8.230 nan 0.000 0.431 1493 A N 0.028 122.699 122.820 -0.247 0.000 1.883 1493 A HA -0.200 4.120 4.320 0.001 0.000 0.217 1493 A C 2.293 179.729 177.584 -0.246 0.000 1.186 1493 A CA 1.605 53.535 52.037 -0.179 0.000 0.624 1493 A CB -0.788 18.179 19.000 -0.056 0.000 0.822 1493 A HN 0.364 nan 8.150 nan 0.000 0.444 1494 L N -0.912 120.044 121.223 -0.445 0.000 2.083 1494 L HA -0.221 4.120 4.340 0.001 0.000 0.209 1494 L C 2.654 179.306 176.870 -0.363 0.000 1.083 1494 L CA 1.686 56.302 54.840 -0.372 0.000 0.752 1494 L CB -0.527 41.250 42.059 -0.470 0.000 0.899 1494 L HN 0.516 nan 8.230 nan 0.000 0.433 1495 E N -0.342 119.518 120.200 -0.568 0.000 2.058 1495 E HA -0.240 4.110 4.350 0.001 0.000 0.194 1495 E C 2.341 178.204 176.600 -1.229 0.000 0.997 1495 E CA 1.141 56.872 56.400 -1.115 0.000 0.801 1495 E CB -0.008 28.875 29.700 -1.362 0.000 0.746 1495 E HN 0.388 nan 8.360 nan 0.000 0.450 1496 R N -0.345 119.764 120.500 -0.653 0.000 2.096 1496 R HA -0.154 4.186 4.340 0.001 0.000 0.235 1496 R C 2.256 178.488 176.300 -0.113 0.000 1.127 1496 R CA 1.150 57.093 56.100 -0.261 0.000 0.968 1496 R CB -0.420 29.823 30.300 -0.096 0.000 0.861 1496 R HN 0.292 nan 8.270 nan 0.000 0.440 1497 Y N 1.824 121.998 120.300 -0.210 0.000 2.224 1497 Y HA -0.280 4.271 4.550 0.001 0.000 0.289 1497 Y C 2.778 178.608 175.900 -0.118 0.000 1.146 1497 Y CA 2.249 60.278 58.100 -0.119 0.000 1.182 1497 Y CB -0.223 38.184 38.460 -0.088 0.000 0.983 1497 Y HN 0.241 nan 8.280 nan 0.000 0.524 1498 E N -0.087 120.079 120.200 -0.056 0.000 2.046 1498 E HA -0.091 4.259 4.350 0.001 0.000 0.190 1498 E C 0.831 177.477 176.600 0.077 0.000 0.982 1498 E CA 1.090 57.469 56.400 -0.035 0.000 0.800 1498 E CB -0.949 28.708 29.700 -0.073 0.000 0.756 1498 E HN 0.423 nan 8.360 nan 0.000 0.449 1499 W N 0.000 121.288 121.300 -0.020 0.000 2.388 1499 W HA 0.000 4.660 4.660 0.001 0.000 0.303 1499 W CA 0.000 57.329 57.345 -0.027 0.000 1.226 1499 W CB 0.000 29.451 29.460 -0.014 0.000 1.126 1499 W HN 0.000 nan 8.180 nan 0.000 0.535